ChemSpider 2D Image | 2-(1-{11-[4-(Dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethylidene)-1H-indene-1,3(2H)-dione | C34H33N3O3

2-(1-{11-[4-(Dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethylidene)-1H-indene-1,3(2H)-dione

  • Molecular FormulaC34H33N3O3
  • Average mass531.644 Da
  • Monoisotopic mass531.252197 Da
  • ChemSpider ID3411343

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

1H-Indene-1,3(2H)-dione, 2-[1-[11-[4-(dimethylamino)phenyl]-1,2,3,4,5,11-hexahydro-3,3-dimethyl-1-oxo-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene]- [ACD/Index Name]
2-(1-{11-[4-(Dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethyliden)-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(1-{11-[4-(Dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethylidene)-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
2-(1-{11-[4-(Diméthylamino)phényl]-3,3-diméthyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}éthylidène)-1H-indène-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-({11-[4-(dimethylamino)phenyl]-3,3-dimethyl-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-10-yl}ethylidene)cyclopenta[1,2-a]benzene-1,3-dione
2-[1-[(6S)-6-[4-(dimethylamino)phenyl]-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethylidene]indene-1,3-dione
2-[1-[6-(4-dimethylaminophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethylidene]indene-1,3-dione
2-[1-[6-[4-(dimethylamino)phenyl]-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethylidene]indene-1,3-dione
2-{1-[11-(4-Dimethylamino-phenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-dibenzo[b,e][1,4]diazepin-10-yl]-ethylidene}-indan-1,3-dione
354545-89-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/37171162 [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: 695.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.8±3.0 kJ/mol
    Flash Point: 374.1±31.5 °C
    Index of Refraction: 1.681
    Molar Refractivity: 154.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 6.15
    ACD/LogD (pH 5.5): 5.54
    ACD/BCF (pH 5.5): 9034.22
    ACD/KOC (pH 5.5): 22208.78
    ACD/LogD (pH 7.4): 5.63
    ACD/BCF (pH 7.4): 11181.17
    ACD/KOC (pH 7.4): 27486.61
    Polar Surface Area: 70 Å2
    Polarizability: 61.4±0.5 10-24cm3
    Surface Tension: 62.5±5.0 dyne/cm
    Molar Volume: 408.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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