ChemSpider 2D Image | Ethyl 4-benzyl-5-oxo-6-phenyl-1,2,3,3a,4,5,5a,6,10b,10c-decahydronaphtho[3,2,1-cd]indole-9-carboxylate | C31H31NO3

Ethyl 4-benzyl-5-oxo-6-phenyl-1,2,3,3a,4,5,5a,6,10b,10c-decahydronaphtho[3,2,1-cd]indole-9-carboxylate

  • Molecular FormulaC31H31NO3
  • Average mass465.583 Da
  • Monoisotopic mass465.230408 Da
  • ChemSpider ID28416052

More details:

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

4-Benzyl-5-oxo-6-phényl-1,2,3,3a,4,5,5a,6,10b,10c-décahydronaphto[3,2,1-cd]indole-9-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-benzyl-5-oxo-6-phenyl-1,2,3,3a,4,5,5a,6,10b,10c-decahydronaphtho[3,2,1-cd]indole-9-carboxylate [ACD/IUPAC Name]
Ethyl-4-benzyl-5-oxo-6-phenyl-1,2,3,3a,4,5,5a,6,10b,10c-decahydronaphtho[3,2,1-cd]indol-9-carboxylat [German] [ACD/IUPAC Name]
Naphth[3,2,1-cd]indole-9-carboxylic acid, 1,2,3,3a,4,5,5a,6,10b,10c-decahydro-5-oxo-6-phenyl-4-(phenylmethyl)-, ethyl ester [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: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 45976.02
ACD/KOC (pH 5.5): 75687.15
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 45976.02
ACD/KOC (pH 7.4): 75687.15
Polar Surface Area: 47 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 389.2±3.0 cm3

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