ChemSpider 2D Image | (2'S,3S,3'S,10b'R)-2'-Benzoyl-3'-(4-nitrobenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one | C33H23N3O5

(2'S,3S,3'S,10b'R)-2'-Benzoyl-3'-(4-nitrobenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

  • Molecular FormulaC33H23N3O5
  • Average mass541.553 Da
  • Monoisotopic mass541.163757 Da
  • ChemSpider ID22872375

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2'S,3S,3'S,10b'R)-2'-Benzoyl-3'-(4-nitrobenzoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(10'bH)-pyrrolo[2,1-a]isoquinolin]-2(1H)-one, 2'-benzoyl-2',3'-dihydro-3'-(4-nitrobenzoyl)-, (2'S,3S,3'S,10b'R)- [ACD/Index Name]
(2'S,3S,3'S,10'bR)-2'-benzoyl-3'-(4-nitrobenzoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
(2'S,3S,3'S,10b'R)-3'-[(4-nitrophenyl)carbonyl]-2'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
1177565-42-2 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 799.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.2±3.0 kJ/mol
    Flash Point: 437.0±32.9 °C
    Index of Refraction: 1.751
    Molar Refractivity: 150.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.65
    ACD/LogD (pH 5.5): 6.01
    ACD/BCF (pH 5.5): 21812.63
    ACD/KOC (pH 5.5): 44384.48
    ACD/LogD (pH 7.4): 6.01
    ACD/BCF (pH 7.4): 21812.65
    ACD/KOC (pH 7.4): 44384.52
    Polar Surface Area: 112 Å2
    Polarizability: 59.5±0.5 10-24cm3
    Surface Tension: 79.3±5.0 dyne/cm
    Molar Volume: 368.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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