ChemSpider 2D Image | 2-[(Benzylimino)methylene]-1,3-bis(2,6-diisopropylphenyl)-5,5-dimethyldihydro-4,6(1H,5H)-pyrimidinedione | C38H47N3O2

2-[(Benzylimino)methylene]-1,3-bis(2,6-diisopropylphenyl)-5,5-dimethyldihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC38H47N3O2
  • Average mass577.799 Da
  • Monoisotopic mass577.366821 Da
  • ChemSpider ID30659182

More details:

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

2-[(Benzylimino)methylen]-1,3-bis(2,6-diisopropylphenyl)-5,5-dimethyldihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
2-[(Benzylimino)methylene]-1,3-bis(2,6-diisopropylphenyl)-5,5-dimethyldihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
2-[(Benzylimino)méthylène]-1,3-bis(2,6-diisopropylphényl)-5,5-diméthyldihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
4,6(1H,5H)-Pyrimidinedione, 1,3-bis[2,6-bis(1-methylethyl)phenyl]dihydro-5,5-dimethyl-2-[(phenylmethyl)carbonimidoyl]- [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: 658.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 178.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.81
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 664905.75
ACD/KOC (pH 5.5): 512269.38
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 664926.19
ACD/KOC (pH 7.4): 512285.13
Polar Surface Area: 53 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 546.7±7.0 cm3

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