ChemSpider 2D Image | 3-(4-Methylbenzoyl)-2-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]-1-benzofuran-5,6-dicarbonitrile | C28H18N2O2

3-(4-Methylbenzoyl)-2-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]-1-benzofuran-5,6-dicarbonitrile

  • Molecular FormulaC28H18N2O2
  • Average mass414.455 Da
  • Monoisotopic mass414.136841 Da
  • ChemSpider ID28636439

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Methylbenzoyl)-2-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]-1-benzofuran-5,6-dicarbonitril [German] [ACD/IUPAC Name]
3-(4-Methylbenzoyl)-2-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]-1-benzofuran-5,6-dicarbonitrile [ACD/IUPAC Name]
3-(4-Méthylbenzoyl)-2-[(1E,3E)-4-phényl-1,3-butadién-1-yl]-1-benzofurane-5,6-dicarbonitrile [French] [ACD/IUPAC Name]
5,6-Benzofurandicarbonitrile, 3-(4-methylbenzoyl)-2-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]- [ACD/Index Name]
3-(4-Methyl-benzoyl)-2-(4-phenyl-buta-1,3-dienyl)-benzofuran-5,6-dicarbonitrile
3-[(4-methylphenyl)carbonyl]-2-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]-1-benzofuran-5,6-dicarbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1594.38
ACD/KOC (pH 5.5): 6823.59
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1594.38
ACD/KOC (pH 7.4): 6823.59
Polar Surface Area: 78 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 324.4±5.0 cm3

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