ChemSpider 2D Image | 2,6-Bis[2-(3,4-dimethylphenoxy)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone | C30H28N2O6

2,6-Bis[2-(3,4-dimethylphenoxy)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone

  • Molecular FormulaC30H28N2O6
  • Average mass512.553 Da
  • Monoisotopic mass512.194763 Da
  • ChemSpider ID4201387

More details:

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

2,6-Bis[2-(3,4-dimethylphenoxy)ethyl]pyrrolo[3,4-f]isoindol-1,3,5,7(2H,6H)-tetron [German] [ACD/IUPAC Name]
2,6-Bis[2-(3,4-dimethylphenoxy)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone [ACD/IUPAC Name]
2,6-Bis[2-(3,4-diméthylphénoxy)éthyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tétrone [French] [ACD/IUPAC Name]
Pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 2,6-bis[2-(3,4-dimethylphenoxy)ethyl]- [ACD/Index Name]
2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
2,6-bis[2-(3,4-dimethylphenoxy)ethyl]azolidino[3',4'-1,2]benzo[4,5-c]azoline-1,3,5,7-tetraone
2,6-bis[2-(3,4-dimethylphenoxy)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
339198-51-5 [RN]
MFCD00312355

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

A0006/0000270 [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: 704.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±3.0 kJ/mol
    Flash Point: 379.8±32.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 139.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.57
    ACD/LogD (pH 5.5): 5.23
    ACD/BCF (pH 5.5): 5543.56
    ACD/KOC (pH 5.5): 16649.30
    ACD/LogD (pH 7.4): 5.23
    ACD/BCF (pH 7.4): 5543.56
    ACD/KOC (pH 7.4): 16649.30
    Polar Surface Area: 93 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 392.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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