Diphenyl(4-styrylphenyl)amine (89114-74-9)

The Diphenyl(4-styrylphenyl)amine, with the cas registry number 89114-74-9, has the systematic name of N,N-diphenyl-4-[(E)-2-phenylethenyl]aniline. The molecular formula of the chemical is C₂₆H₂₁N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 835500; (8)ACD/KOC (pH 7.4): 835500; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 117.49 cm³; (15)Molar Volume: 303.801 cm³; (16)Polarizability: 46.577×10^-24cm³; (17)Surface Tension: 51.26 dyne/cm; (18)Density: 1.144 g/cm³; (19)Flash Point: 227.428 °C; (20)Enthalpy of Vaporization: 78.101 kJ/mol; (21)Boiling Point: 510.281 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccccc1N(c2ccccc2)c3ccc(cc3)/C=C/c4ccccc4
(2)InChI: InChI=1/C26H21N/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H/b17-16+
(3)InChIKey: DXYYLUGHPCHMRQ-WUKNDPDIBD