ChemSpider 2D Image | 2,11-Diisopropylbenzo[13,14]isoquinolino[6',5',4':8,9,10]pentapheno[3,4,5-def]isoquinoline-1,3,10,12(2H,11H)-tetrone | C40H26N2O4

2,11-Diisopropylbenzo[13,14]isoquinolino[6',5',4':8,9,10]pentapheno[3,4,5-def]isoquinoline-1,3,10,12(2H,11H)-tetrone

  • Molecular FormulaC40H26N2O4
  • Average mass598.645 Da
  • Monoisotopic mass598.189270 Da
  • ChemSpider ID13178387

More details:

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

2,11-Diisopropylbenzo[13,14]isochinolino[6',5',4':8,9,10]pentapheno[3,4,5-def]isochinolin-1,3,10,12(2H,11H)-tetron [German] [ACD/IUPAC Name]
2,11-Diisopropylbenzo[13,14]isoquinoléino[6',5',4':8,9,10]pentaphéno[3,4,5-def]isoquinoléine-1,3,10,12(2H,11H)-tétrone [French] [ACD/IUPAC Name]
2,11-Diisopropylbenzo[13,14]isoquinolino[6',5',4':8,9,10]pentapheno[3,4,5-def]isoquinoline-1,3,10,12(2H,11H)-tetrone [ACD/IUPAC Name]
Benz[13,14]isoquino[6',5',4':8,9,10]pentapheno[3,4,5-def]isoquinoline-1,3,10,12(2H,11H)-tetrone, 2,11-bis(1-methylethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.909
Molar Refractivity: 187.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 277246.06
ACD/KOC (pH 5.5): 273890.69
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 277246.06
ACD/KOC (pH 7.4): 273890.69
Polar Surface Area: 75 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 399.2±3.0 cm3

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