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Violanthrone79

Alias: Violanthrone 79Violanthrone-79 Violanthrone79
Cat No.:V2266 Purity: ≥98%
Violanthrone-79 is a novel and potent n-channel organic semiconductor.
Violanthrone79
Violanthrone79 Chemical Structure CAS No.: 85652-50-2
Product category: Others 6
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Violanthrone-79 is a novel and potent n-channel organic semiconductor.
Violanthrone79 (CAS# 85652-50-2), also known as 16,17-bis(octyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, is an n-channel organic semiconductor used in materials science and electronics. It has a molecular formula of C50H48O4 and a molecular weight of 712.91 g/mol. Violanthrone79 is used for interface control of conventional n-type metal-organic semiconductor devices. The compound is a dye and is classified as a photonic and optical material. It is typically provided with a purity of ≥95%. As an organic semiconductor, Violanthrone79 is part of a class of materials that conduct electricity and are used in the development of organic electronic devices, including organic field-effect transistors (OFETs), organic photovoltaics (OPVs), and organic light-emitting diodes (OLEDs).
Biological Activity I Assay Protocols (From Reference)
Targets
The molecular targets of Violanthrone79 are not biological targets, as the compound is an organic semiconductor used in materials science rather than a pharmaceutical agent. In electronic applications, Violanthrone79 functions as an n-type (electron-transporting) semiconductor material. The compound's molecular structure, featuring an extended π-conjugated system and electron-withdrawing carbonyl groups, allows for efficient electron transport through intermolecular π-π stacking interactions. The octyloxy side chains enhance solubility in organic solvents and facilitate solution processing. In organic electronic devices, Violanthrone79 does not interact with biological molecules but rather transports charge carriers (electrons) through the material. Its primary utility is in the fabrication of electronic devices, where it serves as the active layer in transistors, photodetectors, or solar cells. The compound's electronic properties, including its electron mobility, energy levels, and stability, are the key parameters for its performance.
ln Vitro
In vitro activity of Violanthrone79 is characterized by its electronic properties rather than biological activity. In materials science assays, Violanthrone79 is evaluated for its charge transport properties, including electron mobility, conductivity, and device performance. The compound's electron mobility is typically measured using time-of-flight (TOF) or space-charge limited current (SCLC) techniques, with values expected in the range of 10⁻⁴ to 10⁻² cm²/V·s depending on the film morphology and processing conditions. The compound's energy levels (highest occupied molecular orbital, HOMO, and lowest unoccupied molecular orbital, LUMO) are determined by cyclic voltammetry or ultraviolet photoelectron spectroscopy (UPS). The compound's optical properties, including absorption and photoluminescence spectra, are measured by UV-Vis and fluorescence spectroscopy. In biological assays, Violanthrone79 is not typically evaluated for pharmacological activity. The compound may be used in biosensor applications as part of an electronic device, but its biological effects are not the primary focus of research.
ln Vivo
In vivo activity of Violanthrone79 is not relevant, as the compound is an organic semiconductor used in materials science and is not intended for administration to living organisms. The compound is not developed as a therapeutic agent and does not have pharmacological effects in vivo. Its use in biological research may include the development of bioelectronic devices or biosensors, where Violanthrone79 is used as the active material in a device that interacts with biological samples. However, the compound itself is not tested for in vivo efficacy. Any potential exposure to Violanthrone79 in research settings would be related to handling during device fabrication, and appropriate safety precautions should be taken. The compound is classified as a dye and optical material and is not intended for human therapeutic or diagnostic applications.
Enzyme Assay
For in vitro material characterization assays with Violanthrone79, the following protocol is used: Violanthrone79 is dissolved in an organic solvent such as chloroform, dichloromethane, or chlorobenzene at a concentration of 1-10 mg/mL. Thin films are prepared by spin-coating the solution onto substrates such as glass, silicon, or ITO-coated glass at spin speeds of 1000-4000 rpm for 30-60 seconds. The films are annealed at 80-150°C for 5-30 minutes to improve crystallinity and film morphology. The film thickness is measured by profilometry or ellipsometry. The UV-Vis absorption spectrum is recorded using a spectrophotometer, and the photoluminescence spectrum is recorded using a fluorescence spectrometer. The HOMO and LUMO energy levels are determined by cyclic voltammetry in a three-electrode cell with a platinum working electrode, a Ag/AgCl reference electrode, and a platinum counter electrode in a 0.1 M tetrabutylammonium hexafluorophosphate solution in acetonitrile. The electron mobility is measured using space-charge limited current (SCLC) in a diode configuration (ITO/Violanthrone79/Al) or using field-effect transistor (FET) measurements in a bottom-gate, top-contact configuration.
Cell Assay
For device fabrication and testing with Violanthrone79, the following protocol is used: Organic field-effect transistors (OFETs) are fabricated on heavily doped silicon substrates with a thermally grown SiO₂ dielectric layer. Gold source and drain electrodes are deposited by thermal evaporation through a shadow mask, defining a channel length of 50-100 μm and a width of 1-10 mm. Violanthrone79 is deposited by spin-coating or thermal evaporation to form the semiconductor layer. The devices are characterized using a semiconductor parameter analyzer under ambient or nitrogen atmosphere. The transfer and output characteristics are measured, and the field-effect mobility is calculated from the saturation region using the equation IDS = (W/2L) μCi (VG - VTH)². The on/off ratio, threshold voltage, and subthreshold swing are also determined from the transfer characteristics. For organic photovoltaic devices, Violanthrone79 is used as the electron acceptor in a bulk heterojunction with a polymer donor. The devices are characterized by measuring the current density-voltage (J-V) characteristics under simulated AM 1.5G illumination.
Additional Infomation
Violanthrone79 (CAS# 85652-50-2) is an n-channel organic semiconductor with a molecular formula of C50H48O4 and a molecular weight of 712.91 g/mol. It is also known as 16,17-bis(octyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione. The compound is used for interface control of n-type organic semiconductor devices. Future research could focus on developing new organic semiconductors with improved electron mobility and stability, investigating the structure-property relationships of violanthrone derivatives, and exploring their applications in flexible electronics, biosensors, and other optoelectronic devices.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C50H48O4
Molecular Weight
712.93
Exact Mass
712.355
Elemental Analysis
C, 84.24; H, 6.79; O, 8.98
CAS #
85652-50-2
PubChem CID
16217791
Appearance
Solid powder
Melting Point
193-196ºC(lit.)
LogP
13.638
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
16
Heavy Atom Count
54
Complexity
1180
Defined Atom Stereocenter Count
0
SMILES
C1=C(OCCCCCCCC)C2C3=C(OCCCCCCCC)C=C4C5=C3C(=CC=C5C(=O)C3=CC=CC=C43)C3=CC=C4C(C=23)=C1C1=C(C=CC=C1)C4=O
InChi Key
LLPQZABTDLOYAL-UHFFFAOYSA-N
InChi Code
InChI=1S/C50H48O4/c1-3-5-7-9-11-17-27-53-41-29-39-31-19-13-15-21-35(31)49(51)37-25-23-33-34-24-26-38-44-40(32-20-14-16-22-36(32)50(38)52)30-42(54-28-18-12-10-8-6-4-2)48(46(34)44)47(41)45(33)43(37)39/h13-16,19-26,29-30H,3-12,17-18,27-28H2,1-2H3
Chemical Name
16,17-bis(octyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Synonyms
Violanthrone 79Violanthrone-79 Violanthrone79
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.4027 mL 7.0133 mL 14.0266 mL
5 mM 0.2805 mL 1.4027 mL 2.8053 mL
10 mM 0.1403 mL 0.7013 mL 1.4027 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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