ChemSpider 2D Image | 3-({6-[(4-Cyanophenyl)amino]-2-phenyl-4-pyrimidinyl}amino)benzonitrile | C24H16N6

3-({6-[(4-Cyanophenyl)amino]-2-phenyl-4-pyrimidinyl}amino)benzonitrile

  • Molecular FormulaC24H16N6
  • Average mass388.424 Da
  • Monoisotopic mass388.143646 Da
  • ChemSpider ID46873638

More details:

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

3-({6-[(4-Cyanophenyl)amino]-2-phenyl-4-pyrimidinyl}amino)benzonitrile [ACD/IUPAC Name]
3-({6-[(4-Cyanophényl)amino]-2-phényl-4-pyrimidinyl}amino)benzonitrile [French] [ACD/IUPAC Name]
3-({6-[(4-Cyanphenyl)amino]-2-phenyl-4-pyrimidinyl}amino)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[[6-[(4-cyanophenyl)amino]-2-phenyl-4-pyrimidinyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.2±30.1 °C
Index of Refraction: 1.712
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1535.79
ACD/KOC (pH 5.5): 5846.87
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2389.68
ACD/KOC (pH 7.4): 9097.69
Polar Surface Area: 97 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 288.2±5.0 cm3

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