ChemSpider 2D Image | 1,3,6-Triphenyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4',3':1,2]pyrimido[4,5-b]quinolin-5(1H)-one | C30H23N5O

1,3,6-Triphenyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4',3':1,2]pyrimido[4,5-b]quinolin-5(1H)-one

  • Molecular FormulaC30H23N5O
  • Average mass469.536 Da
  • Monoisotopic mass469.190247 Da
  • ChemSpider ID23318379

More details:

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

1,2,4-Triazolo[4',3':1,2]pyrimido[4,5-b]quinolin-5(1H)-one, 7,8,9,10-tetrahydro-1,3,6-triphenyl- [ACD/Index Name]
1,3,6-Triphenyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4',3':1,2]pyrimido[4,5-b]chinolin-5(1H)-on [German] [ACD/IUPAC Name]
1,3,6-Triphényl-7,8,9,10-tétrahydro[1,2,4]triazolo[4',3':1,2]pyrimido[4,5-b]quinoléin-5(1H)-one [French] [ACD/IUPAC Name]
1,3,6-Triphenyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4',3':1,2]pyrimido[4,5-b]quinolin-5(1H)-one [ACD/IUPAC Name]
1,3,6-triphenyl-7,8,9,10-tetrahydro-triazolo[4',3':1,2]pyrimido[4,5-b]quinol-in-5-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL429508/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.0±34.3 °C
Index of Refraction: 1.743
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 61 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 348.3±7.0 cm3

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