N-(4'-Iodobiphenyl-4-yl)-N-(3-methylphenyl)aniline (195443-34-6)

The CAS register number of N-(4'-Iodobiphenyl-4-yl)-N-(3-methylphenyl)aniline is 195443-34-6. It also can be called as N-(4'-Iodobiphenyl-4-yl)-N-(m-tolyl)aniline and the systematic name about this chemical is 4'-iodo-N-(3-methylphenyl)-N-phenylbiphenyl-4-amine. The molecular formula about this chemical is C₂₅H₂₀IN and molecular weight is 461.34.

Physical properties about N-(4'-Iodobiphenyl-4-yl)-N-(3-methylphenyl)aniline are: (1)ACD/LogP: 9.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3362076; (8)ACD/KOC (pH 7.4): 3362076; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24Ų; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 122.42 cm³; (14)Molar Volume: 324.226 cm³; (15)Polarizability: 48.531x10^-24cm³; (16)Surface Tension: 50.618 dyne/cm; (17)Enthalpy of Vaporization: 83.07 kJ/mol; (18)Boiling Point: 550.588 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)c2ccc(cc2)N(c3ccccc3)c4cc(C)ccc4
(2)InChI: InChI=1/C25H20IN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
(3)InChIKey: AKQZSFMSAULQQN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C25H20IN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
(5)Std. InChIKey: AKQZSFMSAULQQN-UHFFFAOYSA-N