ChemSpider 2D Image | (2E,9bR)-6-Acetyl-7,9-dihydroxy-2-(1-{[2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione | C35H32N2O7

(2E,9bR)-6-Acetyl-7,9-dihydroxy-2-(1-{[2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

  • Molecular FormulaC35H32N2O7
  • Average mass592.638 Da
  • Monoisotopic mass592.220947 Da
  • ChemSpider ID35146745

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2E,9bR)-6-Acetyl-7,9-dihydroxy-2-(1-{[2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]amino}ethyliden)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dion [German] [ACD/IUPAC Name]
(2E,9bR)-6-Acetyl-7,9-dihydroxy-2-(1-{[2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione [ACD/IUPAC Name]
(2E,9bR)-6-Acétyl-7,9-dihydroxy-2-(1-{[2-(1H-indol-3-yl)-2-(2-méthoxyphényl)éthyl]amino}éthylidène)-8,9b-diméthyldibenzo[b,d]furane-1,3(2H,9bH)-dione [French] [ACD/IUPAC Name]
1,3(2H,9bH)-Dibenzofurandione, 6-acetyl-7,9-dihydroxy-2-[1-[[2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]amino]ethylidene]-8,9b-dimethyl-, (2E,9bR)- [ACD/Index Name]
(9bR,E)-2-(1-((2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl)amino)ethylidene)-6-acetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 869.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 479.8±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18548.57
ACD/KOC (pH 5.5): 39226.78
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 6149.84
ACD/KOC (pH 7.4): 13005.76
Polar Surface Area: 138 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 416.7±5.0 cm3

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