ChemSpider 2D Image | 4-[4-[3,5-bis[4-(4-aminophenyl)phenyl]phenyl]phenyl]aniline | C42H33N3

4-[4-[3,5-bis[4-(4-aminophenyl)phenyl]phenyl]phenyl]aniline

  • Molecular FormulaC42H33N3
  • Average mass579.732 Da
  • Monoisotopic mass579.267456 Da
  • ChemSpider ID81386625

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1400987-00-9 [RN]
4'-(5-{4'-amino-[1,1'-biphenyl]-4-yl}-4'-(4-aminophenyl)-[1,1'-biphenyl]-3-yl)-[1,1'-biphenyl]-4-amine
5''-(4'-Amino-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-diamine
MFCD32667108

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 835.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 512.1±29.8 °C
Index of Refraction: 1.690
Molar Refractivity: 186.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 8.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1190122.25
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1340930.00
Polar Surface Area: 78 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 488.0±3.0 cm3

Click to predict properties on the Chemicalize site


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