ChemSpider 2D Image | PTCDI-C5 | C34H30N2O4

PTCDI-C5

  • Molecular FormulaC34H30N2O4
  • Average mass530.613 Da
  • Monoisotopic mass530.220581 Da
  • ChemSpider ID19443238

More details:

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

2,9-Dipentylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
2,9-Dipentylisochinolino[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-Dipentylisoquinoléino[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-Dipentylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone [ACD/IUPAC Name]
76372-75-3 [RN]
Isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dipentyl- [ACD/Index Name]
MFCD08276855
PTCDI-C5
N,N′-Dipentyl-3,4,9,10-perylenedicarboximide
n,n-bis(2,5-dipentyl)-3,4,9,10-perylene dicarboximide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

663921_ALDRICH [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 734.1±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.1±3.0 kJ/mol
    Flash Point: 321.8±17.7 °C
    Index of Refraction: 1.738
    Molar Refractivity: 159.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.12
    ACD/LogD (pH 5.5): 7.18
    ACD/BCF (pH 5.5): 170100.94
    ACD/KOC (pH 5.5): 193070.56
    ACD/LogD (pH 7.4): 7.18
    ACD/BCF (pH 7.4): 170100.94
    ACD/KOC (pH 7.4): 193070.56
    Polar Surface Area: 75 Å2
    Polarizability: 63.2±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 396.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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