ChemSpider 2D Image | 2,9-Dibutylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone | C32H26N2O4

2,9-Dibutylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

  • Molecular FormulaC32H26N2O4
  • Average mass502.560 Da
  • Monoisotopic mass502.189270 Da
  • ChemSpider ID10293822

More details:

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

2,9-Dibutylisochinolino[4',5',6':6,5,10]anthra[2,1,9-def]isochinolin-1,3,8,10(2H,9H)-tetron [German] [ACD/IUPAC Name]
2,9-Dibutylisoquinoléino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoléine-1,3,8,10(2H,9H)-tétrone [French] [ACD/IUPAC Name]
2,9-Dibutylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone [ACD/IUPAC Name]
Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dibutyl- [ACD/Index Name]
2,9-DIBUTYL-ANTHRA[2,1,9-DEF:6,5,10-D'E'F']DIISOQUINOLINE-1,3,8,10-TETRONE
2,9-Dibutyl-anthra2,1,9-def:6,5,10-defdiisoquinoline-1,3,8,10-tetrone
2,9-Dibutyl-anthra2,1,9-def:6,5,10-d'e'f'diisoquinoline-1,3,8,10-tetrone
52000-75-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 721.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 324.9±17.7 °C
Index of Refraction: 1.765
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9232.20
ACD/KOC (pH 5.5): 23985.86
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9232.20
ACD/KOC (pH 7.4): 23985.86
Polar Surface Area: 75 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 363.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement