ChemSpider 2D Image | (5E)-5-[[5-[(Z)-[5-[(E)-(5-oxopyrrol-2-ylidene)-phenyl-methyl]pyrrol-2-ylidene]-phenyl-methyl]-1H-pyrrol-2-yl]-phenyl-methylene]pyrrol-2-one | C37H26N4O2

(5E)-5-[[5-[(Z)-[5-[(E)-(5-oxopyrrol-2-ylidene)-phenyl-methyl]pyrrol-2-ylidene]-phenyl-methyl]-1H-pyrrol-2-yl]-phenyl-methylene]pyrrol-2-one

  • Molecular FormulaC37H26N4O2
  • Average mass558.628 Da
  • Monoisotopic mass558.205566 Da
  • ChemSpider ID30652965

  • Double-bond stereo - Double-bond stereo

More details:

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

Density: 1.3±0.1 g/cm3
Boiling Point: 873.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 482.0±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 169.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 902.15
ACD/KOC (pH 5.5): 3528.44
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2148.29
ACD/KOC (pH 7.4): 8402.27
Polar Surface Area: 86 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 440.9±7.0 cm3

Click to predict properties on the Chemicalize site


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