ChemSpider 2D Image | 4,10-Bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetrone | C32H36N4O4

4,10-Bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID3592267

More details:






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

4,10-Bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-3,5,9,11-tetron [German] [ACD/IUPAC Name]
4,10-Bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone [ACD/IUPAC Name]
4,10-Bis[4-(diéthylamino)phényl]-4,10-diazatétracyclo[5.5.2.02,6.08,12]tétradéc-13-ène-3,5,9,11-tétrone [French] [ACD/IUPAC Name]
4,8-Ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 2,6-bis[4-(diethylamino)phenyl]-3a,4,4a,7a,8,8a-hexahydro- [ACD/Index Name]
2,6-bis(4-(diethylamino)phenyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone
4,10-bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
474648-11-8 [RN]

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

AE-848/34302022 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 817.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 118.8±3.0 kJ/mol
    Flash Point: 372.1±26.6 °C
    Index of Refraction: 1.642
    Molar Refractivity: 152.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 3.93
    ACD/LogD (pH 5.5): 0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.62
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 191.26
    ACD/KOC (pH 7.4): 1165.39
    Polar Surface Area: 81 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 423.2±3.0 cm3

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