ChemSpider 2D Image | (2E)-2,5-Bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)cyclopentanone | C31H34N2O

(2E)-2,5-Bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)cyclopentanone

  • Molecular FormulaC31H34N2O
  • Average mass450.615 Da
  • Monoisotopic mass450.267120 Da
  • ChemSpider ID57576483

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2,5-Bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]chinolin-9-ylmethylen)cyclopentanon [German] [ACD/IUPAC Name]
(2E)-2,5-Bis(2,3,6,7-tétrahydro-1H,5H-pyrido[3,2,1-ij]quinoléin-9-ylméthylène)cyclopentanone [French] [ACD/IUPAC Name]
(2E)-2,5-Bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)cyclopentanone [ACD/IUPAC Name]
Cyclopentanone, 2,5-bis[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]-, (2E)- [ACD/Index Name]
(2E,5E)-2,5-bis((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)cyclopentanone
125594-50-5 [RN]
CYCLOPENTANONE,2,5-BIS[(2,3,6,7-TETRAHYDRO-1H,5H-BENZO[IJ]QUINOLIZIN-9-YL)METHYLENE]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 337.1±25.2 °C
Index of Refraction: 1.687
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 16008.51
ACD/KOC (pH 5.5): 16194.10
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 234766.17
ACD/KOC (pH 7.4): 237487.83
Polar Surface Area: 24 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 358.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement