ChemSpider 2D Image | 3,3'-[3H,3'H-5,5'-Bibenzimidazole-2,2'-diylbis(4,1-phenyleneoxy)]bis(N,N-dimethyl-1-propanamine) | C36H40N6O2

3,3'-[3H,3'H-5,5'-Bibenzimidazole-2,2'-diylbis(4,1-phenyleneoxy)]bis(N,N-dimethyl-1-propanamine)

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID1870

More details:






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

[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3H,3'H-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
3,3'-[1H,1'H-5,5'-bibenzimidazole-2,2'-diylbis(benzene-4,1-diyloxy)]bis(N,N-dimethylpropan-1-amine)
3,3'-[3H,3'H-5,5'-Bibenzimidazol-2,2'-diylbis(4,1-phenylenoxy)]bis(N,N-dimethyl-1-propanamin) [German] [ACD/IUPAC Name]
3,3'-[3H,3'H-5,5'-Bibenzimidazole-2,2'-diylbis(4,1-phenyleneoxy)]bis(N,N-dimethyl-1-propanamine) [ACD/IUPAC Name]
3,3'-[3H,3'H-5,5'-Bibenzimidazole-2,2'-diylbis(4,1-phénylèneoxy)]bis(N,N-diméthyl-1-propanamine) [French] [ACD/IUPAC Name]
E97

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

Density: 1.2±0.1 g/cm3
Boiling Point: 814.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.4±37.1 °C
Index of Refraction: 1.648
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 6.66
Polar Surface Area: 82 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 491.2±3.0 cm3

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