ChemSpider 2D Image | 2,2'-Bis{4-[3-(1-piperidinyl)propoxy]phenyl}-3H,3'H-5,5'-bibenzimidazole | C42H48N6O2

2,2'-Bis{4-[3-(1-piperidinyl)propoxy]phenyl}-3H,3'H-5,5'-bibenzimidazole

  • Molecular FormulaC42H48N6O2
  • Average mass668.870 Da
  • Monoisotopic mass668.383850 Da
  • ChemSpider ID9810810

More details:

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

2,2'-Bis{4-[3-(1-piperidinyl)propoxy]phenyl}-3H,3'H-5,5'-bibenzimidazol [German] [ACD/IUPAC Name]
2,2'-Bis{4-[3-(1-piperidinyl)propoxy]phenyl}-3H,3'H-5,5'-bibenzimidazole [ACD/IUPAC Name]
2,2'-Bis{4-[3-(1-pipéridinyl)propoxy]phényl}-3H,3'H-5,5'-bibenzimidazole [French] [ACD/IUPAC Name]
6,6'-Bi-1H-benzimidazole, 2,2'-bis[4-[3-(1-piperidinyl)propoxy]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 891.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 493.2±37.1 °C
Index of Refraction: 1.644
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 16.35
ACD/KOC (pH 5.5): 14.31
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 47.35
ACD/KOC (pH 7.4): 41.46
Polar Surface Area: 82 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 557.7±3.0 cm3

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