ChemSpider 2D Image | (7E)-7-(4-Bromobenzylidene)-11-[(E)-2-(4-bromophenyl)vinyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile | C31H21Br2N3

(7E)-7-(4-Bromobenzylidene)-11-[(E)-2-(4-bromophenyl)vinyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile

  • Molecular FormulaC31H21Br2N3
  • Average mass595.326 Da
  • Monoisotopic mass593.010193 Da
  • ChemSpider ID4781941

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-7-(4-Brombenzyliden)-11-[(E)-2-(4-bromphenyl)vinyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isochinolin-6-carbonitril [German] [ACD/IUPAC Name]
(7E)-7-(4-Bromobenzylidène)-11-[(E)-2-(4-bromophényl)vinyl]-7,8,9,10-tétrahydrobenzimidazo[1,2-b]isoquinoléine-6-carbonitrile [French] [ACD/IUPAC Name]
(7E)-7-(4-Bromobenzylidene)-11-[(E)-2-(4-bromophenyl)vinyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile [ACD/IUPAC Name]
Benzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-[(E)-2-(4-bromophenyl)ethenyl]-7-[(4-bromophenyl)methylene]-7,8,9,10-tetrahydro-, (7E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 154.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 10.62
ACD/LogD (pH 5.5): 9.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2192983.50
ACD/LogD (pH 7.4): 9.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2203482.50
Polar Surface Area: 41 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 397.3±7.0 cm3

Click to predict properties on the Chemicalize site


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