ChemSpider 2D Image | 1-[1-(2-Fluorophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]-3-phenyl-2-propyn-1-one | C26H19FN2O

1-[1-(2-Fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]-3-phenyl-2-propyn-1-one

  • Molecular FormulaC26H19FN2O
  • Average mass394.440 Da
  • Monoisotopic mass394.148132 Da
  • ChemSpider ID23061371

More details:

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

1-[1-(2-Fluorophenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]-3-phenyl-2-propyn-1-one [ACD/IUPAC Name]
1-[1-(2-Fluorophényl)-1,3,4,9-tétrahydro-2H-β-carbolin-2-yl]-3-phényl-2-propyn-1-one [French] [ACD/IUPAC Name]
1-[1-(2-Fluorphenyl)-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl]-3-phenyl-2-propin-1-on [German] [ACD/IUPAC Name]
2-Propyn-1-one, 1-[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-3-phenyl- [ACD/Index Name]
1-(2-fluorophenyl)-2-(3-phenyl-2-propynoyl)-2,3,4,9-tetrahydro-1H-β-carboline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±32.9 °C
Index of Refraction: 1.718
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7009.17
ACD/KOC (pH 5.5): 19693.35
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7009.17
ACD/KOC (pH 7.4): 19693.35
Polar Surface Area: 36 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 293.1±5.0 cm3

Click to predict properties on the Chemicalize site


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