N,N'-Bis(1-naphthalenyl)-N,N'-bisphenyl-(1,1'-biphenyl)-4,4'-diamine

Details:

1. Introduction of N,N'-Bis(1-naphthalenyl)-N,N'-bisphenyl-(1,1'-biphenyl)-4,4'-diamine

 

The N,N'-Bis(1-naphthalenyl)-N,N'-bisphenyl-(1,1'-biphenyl)-4,4'-diamine, with its CAS NO 123847-85-8, is a kind of yellow powder. It has synonyms of [1,1'-Biphenyl]-4,4'-diamine,N,N'-di-1-naphthalenyl-N,N'-diphenyl- (9CI);4,4'-Bis[N-(1-naphthyl)-N-phenylamino]biphenyl;4,4'-Bis[phenyl(naphthalen-1-yl)amino]-1,1'-biphenyl;N,N'-Biphenyl-N,N'-bis(1-naphthyl)[1,1'-biphenyl]-4,4'-diamine;N,N'-Biphenyl-N,N'-bis-(1-naphthenyl)-[1,1'-biphenyl]-4,4'-diamine;N,N'-Bis(naphthalen-1-yl)-N,N'-diphenylbenzidine;N,N'-Bis(a-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine;N,N'-Di(1-naphthyl)-N,N'-diphenyl-4,4'-diaminobiphenyl;N,N'-Di(naphthalen-1-yl)-N,N'-diphenylbenzidine and N,N'-Di-1-naphthyl-N,N'-diphenylbenzidine.

 

2. Properties of N,N'-Bis(1-naphthalenyl)-N,N'-bisphenyl-(1,1'-biphenyl)-4,4'-diamine

 

ACD/LogP: 13.248 # of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 13.25 ACD/LogD (pH 7.4): 13.25
ACD/BCF (pH 5.5): 1000000.00 ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 5.5): 10000000.00 ACD/KOC (pH 7.4): 10000000.00
#H bond acceptors: 2 #Freely Rotating Bonds: 7 Polar Surface Area: 6.48 ?2
Index of Refraction: 1.733 Molar Refractivity: 194.217 cm3
Molar Volume: 485.27 cm3 Polarizability: 76.994 10-24cm3
Surface Tension: 56.4529991149902 dyne/cm Density: 1.213 g/cm3
Flash Point: 340.846 °C Enthalpy of Vaporization: 112.451 kJ/mol
Boiling Point: 772.518 °C at 760 mmHg
 

 

3. Structure descriptors of N,N'-Bis(1-naphthalenyl)-N,N'-bisphenyl-(1,1'-biphenyl)-4,4'-diamine

 

SMILES:c8c(N(c2c1ccccc1ccc2)c3ccc(cc3)c7ccc(N(c5c4ccccc4ccc5)c6ccccc6)cc7)cccc8

Std. InChI:InChI=1S/C44H32N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-32H CopyCopied

Std. InChIKey:IBHBKWKFFTZAHE-UHFFFAOYSA-N