ChemSpider 2D Image | 2-{5-[(1,2',7'-Trimethyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-1H-indol-1-yl}benzoic acid | C33H27N5O2

2-{5-[(1,2',7'-Trimethyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-1H-indol-1-yl}benzoic acid

  • Molecular FormulaC33H27N5O2
  • Average mass525.600 Da
  • Monoisotopic mass525.216492 Da
  • ChemSpider ID58881443

More details:

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

2-{5-[(1,2',7'-Trimethyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-1H-indol-1-yl}benzoesäure [German] [ACD/IUPAC Name]
2-{5-[(1,2',7'-Trimethyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-1H-indol-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 2-{5-[(1,2',7'-triméthyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)méthyl]-1H-indol-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[5-[(1,2',4'-trimethyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-1H-indol-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 777.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.7±35.7 °C
Index of Refraction: 1.714
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 817.65
ACD/KOC (pH 5.5): 1024.22
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 131.24
ACD/KOC (pH 7.4): 164.39
Polar Surface Area: 78 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 397.1±7.0 cm3

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