ChemSpider 2D Image | 4'-[1-(7'-Methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)ethyl]-2-biphenylcarboxylic acid | C33H30N4O2

4'-[1-(7'-Methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)ethyl]-2-biphenylcarboxylic acid

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID32865143

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[1-(4'-methyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)ethyl]- [ACD/Index Name]
4'-[1-(7'-Methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)ethyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[1-(7'-Methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)ethyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-[1-(7'-méthyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)éthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
144701-48-4 [RN]
4'-(1,7'-Dimethyl-2'-propyl-1H-[2,5']bibenzoimidazolyl-3'-ylmethyl)-biphenyl-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1030.12
ACD/KOC (pH 5.5): 1454.29
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 81.66
ACD/KOC (pH 7.4): 115.29
Polar Surface Area: 84 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 408.8±7.0 cm3

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