ChemSpider 2D Image | Ethyl 5-[(E)-2-(9-anthryl)vinyl]-1-benzyl-2-methyl-1H-pyrrole-3-carboxylate | C31H27NO2

Ethyl 5-[(E)-2-(9-anthryl)vinyl]-1-benzyl-2-methyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC31H27NO2
  • Average mass445.552 Da
  • Monoisotopic mass445.204193 Da
  • ChemSpider ID30659545

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[(E)-2-(9-anthracenyl)ethenyl]-2-methyl-1-(phenylmethyl)-, ethyl ester [ACD/Index Name]
5-[(E)-2-(9-Anthryl)vinyl]-1-benzyl-2-méthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(E)-2-(9-anthryl)vinyl]-1-benzyl-2-methyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(E)-2-(9-anthryl)vinyl]-1-benzyl-2-methyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.7±25.7 °C
Index of Refraction: 1.606
Molar Refractivity: 138.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 8.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 783133.06
ACD/LogD (pH 7.4): 8.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 783133.06
Polar Surface Area: 31 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 401.4±7.0 cm3

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