ChemSpider 2D Image | 5-[(E)-2-{(1S,2R)-1,4-Dimethyl-2-[3-(2-methyl-3-buten-2-yl)-1H-indol-5-yl]-3-cyclohexen-1-yl}vinyl]-3-(2-methyl-3-buten-2-yl)-1H-indole | C36H42N2

5-[(E)-2-{(1S,2R)-1,4-Dimethyl-2-[3-(2-methyl-3-buten-2-yl)-1H-indol-5-yl]-3-cyclohexen-1-yl}vinyl]-3-(2-methyl-3-buten-2-yl)-1H-indole

  • Molecular FormulaC36H42N2
  • Average mass502.732 Da
  • Monoisotopic mass502.334808 Da
  • ChemSpider ID9618330

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole, 3-(1,1-dimethyl-2-propen-1-yl)-5-[(E)-2-[(1S,2R)-2-[3-(1,1-dimethyl-2-propen-1-yl)-1H-indol-5-yl]-1,4-dimethyl-3-cyclohexen-1-yl]ethenyl]- [ACD/Index Name]
5-[(E)-2-{(1S,2R)-1,4-Dimethyl-2-[3-(2-methyl-3-buten-2-yl)-1H-indol-5-yl]-3-cyclohexen-1-yl}vinyl]-3-(2-methyl-3-buten-2-yl)-1H-indol [German] [ACD/IUPAC Name]
5-[(E)-2-{(1S,2R)-1,4-Dimethyl-2-[3-(2-methyl-3-buten-2-yl)-1H-indol-5-yl]-3-cyclohexen-1-yl}vinyl]-3-(2-methyl-3-buten-2-yl)-1H-indole [ACD/IUPAC Name]
5-[(E)-2-{(1S,2R)-1,4-Diméthyl-2-[3-(2-méthyl-3-butén-2-yl)-1H-indol-5-yl]-3-cyclohexén-1-yl}vinyl]-3-(2-méthyl-3-butén-2-yl)-1H-indole [French] [ACD/IUPAC 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: 666.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 286.6±22.8 °C
Index of Refraction: 1.653
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.58
ACD/LogD (pH 5.5): 9.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5660736.50
ACD/LogD (pH 7.4): 9.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5660736.50
Polar Surface Area: 32 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

Click to predict properties on the Chemicalize site


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