ChemSpider 2D Image | 2,9-Dibutyl-5,12-bis(nonafluorobutyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone | C40H24F18N2O4

2,9-Dibutyl-5,12-bis(nonafluorobutyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

  • Molecular FormulaC40H24F18N2O4
  • Average mass938.601 Da
  • Monoisotopic mass938.144836 Da
  • ChemSpider ID21120817

More details:

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

2,9-Dibutyl-5,12-bis(nonafluorbutyl)isochinolino[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-Dibutyl-5,12-bis(nonafluorobutyl)isoquinoléino[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-Dibutyl-5,12-bis(nonafluorobutyl)isoquinolino[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-5,12-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 728.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 189.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.14
ACD/LogD (pH 5.5): 11.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 75 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 595.3±3.0 cm3

Click to predict properties on the Chemicalize site


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