ChemSpider 2D Image | (3Z,3'E)-3,3'-Bis(4-hydroxybenzylidene)-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione | C36H20N2O4

(3Z,3'E)-3,3'-Bis(4-hydroxybenzylidene)-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione

  • Molecular FormulaC36H20N2O4
  • Average mass544.555 Da
  • Monoisotopic mass544.142334 Da
  • ChemSpider ID72389424

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,3'E)-3,3'-Bis(4-hydroxybenzyliden)-1,1'-bicyclopenta[b]indol-2,2'(3H,3'H)-dion [German] [ACD/IUPAC Name]
(3Z,3'E)-3,3'-Bis(4-hydroxybenzylidene)-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione [ACD/IUPAC Name]
(3Z,3'E)-3,3'-Bis(4-hydroxybenzylidène)-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione [French] [ACD/IUPAC Name]
[1,1'-Bicyclopent[b]indole]-2,2'(3H,3'H)-dione, 3,3'-bis[(4-hydroxyphenyl)methylene]-, (3Z,3'E)- [ACD/Index Name]
3-[(4-Hydroxyphenyl)methylidene]-1-[3-[(4-hydroxyphenyl)methylidene]-2-oxocyclopenta[b]indol-1-yl]cyclopenta[b]indol-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 445.8±34.3 °C
Index of Refraction: 1.764
Molar Refractivity: 157.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 205972.34
ACD/KOC (pH 5.5): 221340.47
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 189196.11
ACD/KOC (pH 7.4): 203312.52
Polar Surface Area: 99 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 381.5±7.0 cm3

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