ChemSpider 2D Image | (1E)-1-[(3E)-3-(4-Hydroxybenzylidene)-2-oxo-3,4-dihydrocyclopenta[b]indol-1(2H)-ylidene]-3-[(4-hydroxyphenyl)(methoxy)methyl]-3-methoxy-3,4-dihydrocyclopenta[b]indol-2(1H)-one | C38H28N2O6

(1E)-1-[(3E)-3-(4-Hydroxybenzylidene)-2-oxo-3,4-dihydrocyclopenta[b]indol-1(2H)-ylidene]-3-[(4-hydroxyphenyl)(methoxy)methyl]-3-methoxy-3,4-dihydrocyclopenta[b]indol-2(1H)-one

  • Molecular FormulaC38H28N2O6
  • Average mass608.639 Da
  • Monoisotopic mass608.194763 Da
  • ChemSpider ID8636754

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-[(3E)-3-(4-Hydroxybenzyliden)-2-oxo-3,4-dihydrocyclopenta[b]indol-1(2H)-yliden]-3-[(4-hydroxyphenyl)(methoxy)methyl]-3-methoxy-3,4-dihydrocyclopenta[b]indol-2(1H)-on [German] [ACD/IUPAC Name]
(1E)-1-[(3E)-3-(4-Hydroxybenzylidene)-2-oxo-3,4-dihydrocyclopenta[b]indol-1(2H)-ylidene]-3-[(4-hydroxyphenyl)(methoxy)methyl]-3-methoxy-3,4-dihydrocyclopenta[b]indol-2(1H)-one [ACD/IUPAC Name]
(1E)-1-[(3E)-3-(4-Hydroxybenzylidène)-2-oxo-3,4-dihydrocyclopenta[b]indol-1(2H)-ylidène]-3-[(4-hydroxyphényl)(méthoxy)méthyl]-3-méthoxy-3,4-dihydrocyclopenta[b]indol-2(1H)-one [French] [ACD/IUPAC Name]
Cyclopent[b]indol-2(1H)-one, 1-[(3E)-3,4-dihydro-3-[(4-hydroxyphenyl)methylene]-2-oxocyclopent[b]indol-1(2H)-ylidene]-3,4-dihydro-3-[(4-hydroxyphenyl)methoxymethyl]-3-methoxy-, (1E)- [ACD/Index Name]
(E)-3-[(4-Hydroxy-phenyl)-methoxy-methyl]-3'-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene]-3-methoxy-3,4,3',4'-tetrahydro-[1,1']bi[cyclopenta[b]indolylidene]-2,2'-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455236/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 902.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.7±3.0 kJ/mol
Flash Point: 499.8±34.3 °C
Index of Refraction: 1.796
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28124.68
ACD/KOC (pH 5.5): 53237.98
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27769.72
ACD/KOC (pH 7.4): 52566.07
Polar Surface Area: 125 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 87.7±5.0 dyne/cm
Molar Volume: 403.8±5.0 cm3

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