ChemSpider 2D Image | 2-(1H-Phenanthro[9,10-d]imidazol-2-yl)benzonitrile | C22H13N3

2-(1H-Phenanthro[9,10-d]imidazol-2-yl)benzonitrile

  • Molecular FormulaC22H13N3
  • Average mass319.359 Da
  • Monoisotopic mass319.110962 Da
  • ChemSpider ID16177550

More details:

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

2-(1H-Phenanthro[9,10-d]imidazol-2-yl)benzonitril [German] [ACD/IUPAC Name]
2-(1H-Phenanthro[9,10-d]imidazol-2-yl)benzonitrile [ACD/IUPAC Name]
2-(1H-Phénanthro[9,10-d]imidazol-2-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(1H-phenanthro[9,10-d]imidazol-2-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL271956/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.3±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 185.8±17.2 °C
Index of Refraction: 1.809
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3056.56
ACD/KOC (pH 5.5): 10801.33
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3126.95
ACD/KOC (pH 7.4): 11050.06
Polar Surface Area: 52 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 233.1±5.0 cm3

Click to predict properties on the Chemicalize site


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