ChemSpider 2D Image | 6-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione | C32H31F2N3O2

6-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

  • Molecular FormulaC32H31F2N3O2
  • Average mass527.604 Da
  • Monoisotopic mass527.238464 Da
  • ChemSpider ID45382376

More details:

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

4H-Pyrrolo[3,2,1-ij]quinoline-1,2-dione, 6-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-4,4,9-trimethyl- [ACD/Index Name]
6-({4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}méthyl)-4,4,9-triméthyl-4H-pyrrolo[3,2,1-ij]quinoléine-1,2-dione [French] [ACD/IUPAC Name]
6-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione [ACD/IUPAC Name]
6-({4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}methyl)-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]chinolin-1,2-dion [German] [ACD/IUPAC Name]
6-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-4,4,9-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.8±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 147.48
ACD/KOC (pH 5.5): 625.67
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1456.77
ACD/KOC (pH 7.4): 6180.20
Polar Surface Area: 44 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

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