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

2'-Benzoyl-3'-(3-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 ID4151141

More details:

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

2'-Benzoyl-3'-(3-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'-(3-nitrobenzoyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 774.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.4±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: 7.72
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23237.02
ACD/KOC (pH 5.5): 46440.34
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23237.12
ACD/KOC (pH 7.4): 46440.54
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

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