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499128-71-1

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Basic Information
CAS No.: 499128-71-1
Name: N-(4-BroMophenyl)-N,N-bis(1,1'-biphenyl-4-yl)aMine
Article Data: 32
Molecular Structure:
Molecular Structure of 499128-71-1 (N-(4-BroMophenyl)-N,N-bis(1,1'-biphenyl-4-yl)aMine)
Formula: C30H22BrN
Molecular Weight: 476.415
Synonyms: N-[1,1'-Biphenyl]-4-yl-N-(4-bromophenyl)-[1,1'-biphenyl]-4-amine;
EINECS: 1312995-182-4
Density: 1.297 g/cm3
Melting Point: 172-174℃
Boiling Point: 625.727 °C at 760 mmHg
Flash Point: 332.228 °C
PSA: 3.24000
LogP: 9.25290
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Specification

The N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine, with the CAS registry number 499128-71-1, is also known as N-[1,1'-Biphenyl]-4-yl-N-(4-bromophenyl)-[1,1'-biphenyl]-4-amine. It belongs to the product category of OLED materials, pharm chemical, electronic. This chemical's molecular formula is C30H22BrN and molecular weight is 476.41. What's more, its systematic name is N-(4-Biphenylyl)-N-(4-bromophenyl)-4-biphenylamine.

Physical properties of N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine are: (1)ACD/LogP: 9.977 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 9.98; (3)ACD/LogD (pH 7.4): 9.98; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 6377988.00; (7)ACD/KOC (pH 7.4): 6377988.00; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 136.97 cm3; (14)Molar Volume: 367.348 cm3; (15)Polarizability: 54.299×10-24cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.297 g/cm3; (18)Flash Point: 332.228 °C; (19)Enthalpy of Vaporization: 92.635 kJ/mol; (20)Boiling Point: 625.727 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc5ccc(N(c2ccc(c1ccccc1)cc2)c4ccc(c3ccccc3)cc4)cc5
(2)Std. InChI: InChI=1S/C30H22BrN/c31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24/h1-22H
(3)Std. InChIKey: BTFIECQCKYNJTN-UHFFFAOYSA-N