ChemSpider 2D Image | 6-[4-(2-Hydroxyethoxy)phenyl]-2-(2-methyl-2-propanyl)-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone | C40H39NO6

6-[4-(2-Hydroxyethoxy)phenyl]-2-(2-methyl-2-propanyl)-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone

  • Molecular FormulaC40H39NO6
  • Average mass629.741 Da
  • Monoisotopic mass629.277710 Da
  • ChemSpider ID3301927

More details:

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

1H-Naphth[2,3-e]isoindole-1,3,7,10(2H)-tetrone, 2-(1,1-dimethylethyl)-3a,4,6,6a,10a,11,11a,11b-octahydro-6-[4-(2-hydroxyethoxy)phenyl]-6a,9-diphenyl- [ACD/Index Name]
6-[4-(2-Hydroxyethoxy)phenyl]-2-(2-methyl-2-propanyl)-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindol-1,3,7,10(2H)-tetron [German] [ACD/IUPAC Name]
6-[4-(2-Hydroxyethoxy)phenyl]-2-(2-methyl-2-propanyl)-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone [ACD/IUPAC Name]
6-[4-(2-Hydroxyéthoxy)phényl]-2-(2-méthyl-2-propanyl)-6a,9-diphényl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphto[2,3-e]isoindole-1,3,7,10(2H)-tétrone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29031.96
ACD/KOC (pH 5.5): 54464.20
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29031.96
ACD/KOC (pH 7.4): 54464.20
Polar Surface Area: 101 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 476.6±5.0 cm3

Click to predict properties on the Chemicalize site


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