CAS 883236-54-2 Tris[4-(5-dicyanomethylidenemethyl-2-thienyl)phenyl]amine

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Tris[4-(5-dicyanomethylidenemethyl-2-thienyl)phenyl]amine

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Catalog Number

ACM883236542

CAS Number

883236-54-2

Product Name

Tris[4-(5-dicyanomethylidenemethyl-2-thienyl)phenyl]amine

Structure

Category

Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials

Synonyms

TDCV-TPA

IUPAC Name

2-[[5-[4-[4-[5-(2,2-dicyanoethenyl)thiophen-2-yl]-N-[4-[5-(2,2-dicyanoethenyl)thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]methylidene]propanedinitrile

Molecular Weight

719.86

Molecular Formula

C42H21N7S3

Canonical SMILES

N#C\C(=C/c1ccc(s1)-c2ccc(cc2)N(c3ccc(cc3)-c4ccc(\C=C(/C#N)C#N)s4)c5ccc(cc5)-c6ccc(\C=C(/C#N)C#N)s6)C#N

InChI

1S/C42H21N7S3/c43-22-28(23-44)19-37-13-16-40(50-37)31-1-7-34(8-2-31)49(35-9-3-32(4-10-35)41-17-14-38(51-41)20-29(24-45)25-46)36-11-5-33(6-12-36)42-18-15-39(52-42)21-30(26-47)27-48/h1-21H,KJHGHQMIPHPKIY-UHFFFAOYSA-N

InChI Key

KJHGHQMIPHPKIY-UHFFFAOYSA-N

Melting Point

400 °C

Application

Isotropic organic semiconductor for OPV's and OLED's. TDCV-TPA is soluble in a large variety of organic solvents and can be used for the fabrication of heterojunction solar cells with high open-circuit voltage (1.15V), efficiency close to 2% and longer ambient condition lifetimes than cells based on poly(alkylthiophenes). The compound absorbs at 509nm (in CH2Cl2 solution) and 538nm as thin film. It can be used as high spectral purity luminophore in LED's, emitting red light at 658nm.

Storage

room temp

Assay

0.97

Complexity

1430

Covalently-Bonded Unit Count

Exact Mass

719.102057g/mol

Form

ITO/PEDOT:PSS/TDCV-TPA/Al[1]• Short-circuit current density (Jsc): 1.7 mA/cm² • Open-circuit voltage (Voc): 0.76 V• Fill Factor (FF): 0.27• Power Conversion Efficiency (PCE): 0.4 %

Formal Charge

Heavy Atom Count

MDL Number

MFCD09836233

Monoisotopic Mass

719.102057g/mol

Packaging

100 mg in glass insert

Rotatable Bond Count

XLogP3

9.5

MSDS