ChemSpider 2D Image | 5-(3-{(E)-2-[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione | C37H36N4O3

5-(3-{(E)-2-[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID65012929

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[3-[(E)-2-[4-(4,5-dihydro-3,5-diphenyl-1H-pyrazol-1-yl)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1,3-dimethyl- [ACD/Index Name]
5-(3-{(E)-2-[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-yliden)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-(3-{(E)-2-[4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-(3-{(E)-2-[4-(3,5-Diphényl-4,5-dihydro-1H-pyrazol-1-yl)phényl]vinyl}-5,5-diméthyl-2-cyclohexén-1-ylidène)-1,3-diméthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.6±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 175.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5439.41
ACD/KOC (pH 5.5): 16424.79
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5439.44
ACD/KOC (pH 7.4): 16424.86
Polar Surface Area: 73 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 486.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement