4,4'-Bis[4-(di-p-tolylamino)styryl]biphenyl

Details:

1.Introduction of 119586-44-6

4,4'-Bis[4-(di-p-tolylamino)styryl]biphenyl has CAS registry number of 119586-44-6. And its systematic name is N-[4-[(E)-2-[4-[4-[(E)-2-[4-(bis-p-tolylamino)phenyl]vinyl]phenyl]phenyl]vinyl]phenyl]-4-methyl-N-(p-tolyl)aniline. It is a kind of yellow powder with purity of 98.0%, and it is usually used as one kind of amines and OLED materials.

2.Properties of 119586-44-6

ACD/LogP: 18.089
# of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 18.09
ACD/LogD (pH 7.4): 18.09
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
#H bond donors: 0
#Freely Rotating Bonds: 11
Polar Surface Area: 6.48?²
Index of Refraction: 1.707
Molar Refractivity: 252.619 cm³
Molar Volume: 648.554 cm³
Polarizability: 100.146 10-24cm³
Surface Tension: 52.1020011901855 dyne/cm
Density: 1.155 g/cm³
Flash Point: 381.564 °C
Enthalpy of Vaporization: 130.29 kJ/mol
Boiling Point: 896.078 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 119586-44-6

(1)InChI: InChI=1S/C56H48N2/c1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54/h5-40H,1-4H3/b15-13+,16-14+
(2)InChIKey: OSQXTXTYKAEHQV-WXUKJITCSA-N
(3)Canonical SMILES: Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)/C=C/c4ccc(cc4)c5ccc(cc5)/C=C/c6ccc(cc6)N(c7ccc(C)cc7)c8ccc(C)cc8