4,4'-Cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline]

Details:

1.Introduction of 58473-78-2

4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline] has the CAS registry number of 58473-78-2. Its IUPAC name is 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline. It belongs to product categories of electronic, electroluminescence, functional materials, oled materials. The chemical produced by our factory is a kind of white powder with purity of 98.0% in the market.

2.Properties of 58473-78-2

ACD/LogP: 16.99
# of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 16.99
ACD/LogD (pH 7.4): 16.99
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: 8
Polar Surface Area: 6.48?²
Index of Refraction: 1.646
Molar Refractivity: 203.451 cm³
Molar Volume: 560.674 cm³
Polarizability: 80.654 10-24cm³
Surface Tension: 49.0579986572266 dyne/cm
Density: 1.118 g/cm³
Flash Point: 328.815 °C
Enthalpy of Vaporization: 110.005 kJ/mol
Boiling Point: 754.977 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 58473-78-2

(1)InChI: InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3
(2)InChIKey: ZOKIJILZFXPFTO-UHFFFAOYSA-N
(3)Canonical SMILES : CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4(CCCCC4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C