ChemSpider 2D Image | 2-[(5-Methyl-1-trityl-1H-imidazol-4-yl)methyl]-5-phenyl-3,4-dihydropyrimido[1,6-a]indol-1(2H)-one | C41H34N4O

2-[(5-Methyl-1-trityl-1H-imidazol-4-yl)methyl]-5-phenyl-3,4-dihydropyrimido[1,6-a]indol-1(2H)-one

  • Molecular FormulaC41H34N4O
  • Average mass598.735 Da
  • Monoisotopic mass598.273254 Da
  • ChemSpider ID8524000

More details:

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

2-[(5-Methyl-1-trityl-1H-imidazol-4-yl)methyl]-5-phenyl-3,4-dihydropyrimido[1,6-a]indol-1(2H)-on [German] [ACD/IUPAC Name]
2-[(5-Methyl-1-trityl-1H-imidazol-4-yl)methyl]-5-phenyl-3,4-dihydropyrimido[1,6-a]indol-1(2H)-one [ACD/IUPAC Name]
2-[(5-Méthyl-1-trityl-1H-imidazol-4-yl)méthyl]-5-phényl-3,4-dihydropyrimido[1,6-a]indol-1(2H)-one [French] [ACD/IUPAC Name]
Pyrimido[1,6-a]indol-1(2H)-one, 3,4-dihydro-2-[[5-methyl-1-(triphenylmethyl)-1H-imidazol-4-yl]methyl]-5-phenyl- [ACD/Index 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: 791.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 432.3±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 187.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 115292.60
ACD/KOC (pH 5.5): 108638.45
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 319962.31
ACD/KOC (pH 7.4): 301495.59
Polar Surface Area: 43 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 502.0±7.0 cm3

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