ChemSpider 2D Image | 3,3'-Bis[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione | C36H20N2O4

3,3'-Bis[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione

  • Molecular FormulaC36H20N2O4
  • Average mass544.555 Da
  • Monoisotopic mass544.142334 Da
  • ChemSpider ID95757180

More details:

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

[1,1'-Bicyclopent[b]indole]-2,2'(3H,3'H)-dione, 3,3'-bis[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]- [ACD/Index Name]
3,3'-Bis[(4-oxo-2,5-cyclohexadien-1-yliden)methyl]-1,1'-bicyclopenta[b]indol-2,2'(3H,3'H)-dion [German] [ACD/IUPAC Name]
3,3'-Bis[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione [ACD/IUPAC Name]
3,3'-Bis[(4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]-1,1'-bicyclopenta[b]indole-2,2'(3H,3'H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 297.7±38.2 °C
Index of Refraction: 1.764
Molar Refractivity: 157.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 132.07
ACD/KOC (pH 5.5): 1147.32
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 132.08
ACD/KOC (pH 7.4): 1147.38
Polar Surface Area: 93 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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