ChemSpider 2D Image | 4'-[(1,7'-Dimethyl-2'-propyl-1H,1'H-2,5'-bibenzimidazol-1'-yl)methyl]-2-(2',3',5',6'-~2~H_4_)biphenylcarboxylic acid | C33H26D4N4O2

4'-[(1,7'-Dimethyl-2'-propyl-1H,1'H-2,5'-bibenzimidazol-1'-yl)methyl]-2-(2',3',5',6'-2H4)biphenylcarboxylic acid

  • Molecular FormulaC33H26D4N4O2
  • Average mass518.641 Da
  • Monoisotopic mass518.261963 Da
  • ChemSpider ID107434394

  • Non-standard isotope - Non-standard isotope

More details:

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

[1,1'-Biphenyl-2',3',5',6'-d4]-2-carboxylic acid, 4'-[(1,7'-dimethyl-2'-propyl[2,5'-bi-1H-benzimidazol]-1'-yl)methyl]- [ACD/Index Name]
4'-[(1,7'-Dimethyl-2'-propyl-1H,1'H-2,5'-bibenzimidazol-1'-yl)methyl]-2-(2',3',5',6'-2H4)biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(1,7'-Dimethyl-2'-propyl-1H,1'H-2,5'-bibenzimidazol-1'-yl)methyl]-2-(2',3',5',6'-2H4)biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-[(1,7'-diméthyl-2'-propyl-1H,1'H-2,5'-bibenzimidazol-1'-yl)méthyl]-2-(2',3',5',6'-2H4)biphénylcarboxylique [French] [ACD/IUPAC Name]
1393441-81-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 771.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.6±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 1547.83
ACD/KOC (pH 5.5): 2037.93
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 103.37
ACD/KOC (pH 7.4): 136.11
Polar Surface Area: 73 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

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