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

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
Fluorescence	λex 510 nm; λem 592 nm in chloroform
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 %
MDL Number	MFCD09836233
OPV Device Performance	ITO/PEDOT:PSS/TDCV-TPA/Al • 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 %
Orbital Energy	HOMO 6 eV
Packaging	100 mg in glass insert
Quality Level	100