ChemSpider 2D Image | 4'-{[7'-Methyl-1-(~2~H_3_)methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl]methyl}-2-(2',3',5',6'-~2~H_4_)biphenylcarboxylic acid | C33H23D7N4O2

4'-{[7'-Methyl-1-(2H3)methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl]methyl}-2-(2',3',5',6'-2H4)biphenylcarboxylic acid

  • Molecular FormulaC33H23D7N4O2
  • Average mass521.660 Da
  • Monoisotopic mass521.280823 Da
  • ChemSpider ID48062776
  • 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'-[[4'-methyl-1-(methyl-d3)-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl]methyl]- [ACD/Index Name]
4'-{[7'-Methyl-1-(2H3)methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl]methyl}-2-(2',3',5',6'-2H4)biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-{[7'-Methyl-1-(2H3)methyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl]methyl}-2-(2',3',5',6'-2H4)biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-{[7'-méthyl-1-(2H3)méthyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl]méthyl}-2-(2',3',5',6'-2H4)biphénylcarboxylique [French] [ACD/IUPAC Name]
1794754-60-1 [RN]
2-[2,3,5,6-tetradeuterio-4-[[4-methyl-2-propyl-6-[1-(trideuteriomethyl)benzimidazol-2-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 5.19
ACD/BCF (pH 5.5): 1899.12
ACD/KOC (pH 5.5): 2364.03
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 125.93
ACD/KOC (pH 7.4): 156.75
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

Click to predict properties on the Chemicalize site






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