ChemSpider 2D Image | 2,9-Bis(3-phenylpropyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone | C42H30N2O4

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

  • Molecular FormulaC42H30N2O4
  • Average mass626.699 Da
  • Monoisotopic mass626.220581 Da
  • ChemSpider ID21122358

More details:

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

2,9-Bis(3-phenylpropyl)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-Bis(3-phénylpropyl)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-Bis(3-phenylpropyl)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-bis(3-phenylpropyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.782
Molar Refractivity: 190.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 499537.25
ACD/KOC (pH 5.5): 417451.88
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 499537.25
ACD/KOC (pH 7.4): 417451.88
Polar Surface Area: 75 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 452.0±3.0 cm3

Click to predict properties on the Chemicalize site


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