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89114-74-9

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Basic Information
CAS No.: 89114-74-9
Name: Diphenyl(4-styrylphenyl)amine
Article Data: 13
Molecular Structure:
Molecular Structure of 89114-74-9 (Diphenyl(4-styrylphenyl)amine)
Formula: C26H21N
Molecular Weight: 347.459
Synonyms: DIPHENYL(4-STYRYLPHENYL)AMINE;Benzenamine,N,N-diphenyl-4-(2-phenylethenyl);
Density: 1.144 g/cm3
Melting Point: 151.0 to 155.0 °C
Boiling Point: 510.281 °C at 760 mmHg
Flash Point: 227.428 °C
PSA: 3.24000
LogP: 7.32680
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Specification

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