ChemSpider 2D Image | 3-(4-Biphenylylethynyl)-4-{[(S)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile | C34H24N4O

3-(4-Biphenylylethynyl)-4-{[(S)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile

  • Molecular FormulaC34H24N4O
  • Average mass504.581 Da
  • Monoisotopic mass504.195007 Da
  • ChemSpider ID62379163

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(4-Biphenylylethinyl)-4-{[(S)-(4-cyanphenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitril [German] [ACD/IUPAC Name]
3-(4-Biphenylylethynyl)-4-{[(S)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}benzonitrile [ACD/IUPAC Name]
3-(4-Biphénylyléthynyl)-4-{[(S)-(4-cyanophényl)(1-méthyl-1H-imidazol-5-yl)méthoxy]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(2-[1,1'-biphenyl]-4-ylethynyl)-4-[[(S)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 751.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 5406.92
ACD/KOC (pH 5.5): 9895.12
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 29824.76
ACD/KOC (pH 7.4): 54581.90
Polar Surface Area: 75 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 451.2±7.0 cm3

Click to predict properties on the Chemicalize site


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