ChemSpider 2D Image | (4R,4aS,7aR)-5-(Diphenylmethylene)-1-[(4-methylphenyl)sulfonyl]-4-phenyl-4,4a,5,7a-tetrahydro-1H-cyclopenta[b]pyridine | C34H29NO2S

(4R,4aS,7aR)-5-(Diphenylmethylene)-1-[(4-methylphenyl)sulfonyl]-4-phenyl-4,4a,5,7a-tetrahydro-1H-cyclopenta[b]pyridine

  • Molecular FormulaC34H29NO2S
  • Average mass515.665 Da
  • Monoisotopic mass515.191895 Da
  • ChemSpider ID30651772

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,4aS,7aR)-5-(Diphenylmethylen)-1-[(4-methylphenyl)sulfonyl]-4-phenyl-4,4a,5,7a-tetrahydro-1H-cyclopenta[b]pyridin [German] [ACD/IUPAC Name]
(4R,4aS,7aR)-5-(Diphenylmethylene)-1-[(4-methylphenyl)sulfonyl]-4-phenyl-4,4a,5,7a-tetrahydro-1H-cyclopenta[b]pyridine [ACD/IUPAC Name]
(4R,4aS,7aR)-5-(Diphénylméthylène)-1-[(4-méthylphényl)sulfonyl]-4-phényl-4,4a,5,7a-tétrahydro-1H-cyclopenta[b]pyridine [French] [ACD/IUPAC Name]
1H-Cyclopenta[b]pyridine, 5-(diphenylmethylene)-4,4a,5,7a-tetrahydro-1-[(4-methylphenyl)sulfonyl]-4-phenyl-, (4R,4aS,7aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.90
ACD/LogD (pH 5.5): 8.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1188424.75
ACD/LogD (pH 7.4): 8.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1188424.75
Polar Surface Area: 46 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

Click to predict properties on the Chemicalize site


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