ChemSpider 2D Image | 13-(3,4-Diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquinolino[2,1-a]quinolin-1-one | C31H37NO5

13-(3,4-Diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquinolino[2,1-a]quinolin-1-one

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID21527444

More details:

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

13-(3,4-Diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isochinolino[2,1-a]chinolin-1-on [German] [ACD/IUPAC Name]
13-(3,4-Diéthoxyphényl)-9,10-diméthoxy-3,3-diméthyl-2,3,4,6,7,13-hexahydro-1H-isoquinoléino[2,1-a]quinoléin-1-one [French] [ACD/IUPAC Name]
13-(3,4-Diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquinolino[2,1-a]quinolin-1-one [ACD/IUPAC Name]
1H-Dibenzo[a,f]quinolizin-1-one, 13-(3,4-diethoxyphenyl)-2,3,4,6,7,13-hexahydro-9,10-dimethoxy-3,3-dimethyl- [ACD/Index Name]
13-(3,4-diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
13-(3,4-diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-4,6,7,13-tetrahydro-2H-isoquinolino[2,1-a]quinolin-1-one
898918-04-2 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 659.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±3.0 kJ/mol
    Flash Point: 352.4±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 143.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.72
    ACD/LogD (pH 5.5): 5.67
    ACD/BCF (pH 5.5): 12071.52
    ACD/KOC (pH 5.5): 29031.38
    ACD/LogD (pH 7.4): 5.68
    ACD/BCF (pH 7.4): 12114.67
    ACD/KOC (pH 7.4): 29135.16
    Polar Surface Area: 57 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 51.8±5.0 dyne/cm
    Molar Volume: 414.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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