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Benzenamine,4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)- (89114-91-0)

Identification
Name:Benzenamine,4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-
Synonyms:2-Bis[(4'-methylphenyl)amino-p-phenyl]-1,1-diphenylethylene;4-(2,2-Diphenylethenyl)-N,N-bis(4-methylphenyl)benzenamine;CTM;N,N-Di(p-tolyl)-4-(b-phenylstyryl)aniline;TPA (hole transport material);a-Phenyl-4'-[bis(4-methylphenyl)amino]stilbene;
CAS:89114-91-0
Molecular Formula: C34H29N
Molecular Weight: 0
Molecular Structure: (C34H29N) 2-Bis[(4'-methylphenyl)amino-p-phenyl]-1,1-diphenylethylene;4-(2,2-Diphenylethenyl)-N,N-bis(4-methyl...
Properties
Density:1.121 g/cm3
Specification:

The 4-(2,2-Diphenylethenyl)phenylbis(4-methylphenyl)amine, with CAS registry number 89114-91-0, has the systematic name of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline. Besides this, it is also called N,N-Bis(4-methylphenyl)-4-(2,2-diphenylvinyl)benzenamine. And the chemical formula of this chemical is C34H29N.

Physical properties of 4-(2,2-Diphenylethenyl)phenylbis(4-methylphenyl)amine: (1)ACD/LogP: 9.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 150.18 cm3; (15)Molar Volume: 402.8 cm3; (16)Polarizability: 59.536×10-24cm3; (17)Surface Tension: 48.46 dyne/cm; (18)Enthalpy of Vaporization: 89.48 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)\C=C(/c4ccccc4)c5ccccc5
(2)InChI: InChI=1/C34H29N/c1-26-13-19-31(20-14-26)35(32-21-15-27(2)16-22-32)33-23-17-28(18-24-33)25-34(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-25H,1-2H3
(3)InChIKey: ZHGLWMUJQVWWQO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C34H29N/c1-26-13-19-31(20-14-26)35(32-21-15-27(2)16-22-32)33-23-17-28(18-24-33)25-34(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-25H,1-2H3
(5)Std. InChIKey: ZHGLWMUJQVWWQO-UHFFFAOYSA-N

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