ChemSpider 2D Image | 4-[(2,2-Dimethyl-3-oxo-2,3-dihydro-1H-indol-7-yl)ethynyl]-7-[(7-methoxy-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-4-yl)ethynyl]-2,2-dimethyl-1,2-dihydro-3H-indol-3-one | C35H31N3O4

4-[(2,2-Dimethyl-3-oxo-2,3-dihydro-1H-indol-7-yl)ethynyl]-7-[(7-methoxy-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-4-yl)ethynyl]-2,2-dimethyl-1,2-dihydro-3H-indol-3-one

  • Molecular FormulaC35H31N3O4
  • Average mass557.638 Da
  • Monoisotopic mass557.231445 Da
  • ChemSpider ID30660160

More details:

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

3H-Indol-3-one, 4-[2-(2,3-dihydro-2,2-dimethyl-3-oxo-1H-indol-7-yl)ethynyl]-7-[2-(2,3-dihydro-7-methoxy-2,2-dimethyl-3-oxo-1H-indol-4-yl)ethynyl]-1,2-dihydro-2,2-dimethyl- [ACD/Index Name]
4-[(2,2-Dimethyl-3-oxo-2,3-dihydro-1H-indol-7-yl)ethinyl]-7-[(7-methoxy-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-4-yl)ethinyl]-2,2-dimethyl-1,2-dihydro-3H-indol-3-on [German] [ACD/IUPAC Name]
4-[(2,2-Dimethyl-3-oxo-2,3-dihydro-1H-indol-7-yl)ethynyl]-7-[(7-methoxy-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-4-yl)ethynyl]-2,2-dimethyl-1,2-dihydro-3H-indol-3-one [ACD/IUPAC Name]
4-[(2,2-Diméthyl-3-oxo-2,3-dihydro-1H-indol-7-yl)éthynyl]-7-[(7-méthoxy-2,2-diméthyl-3-oxo-2,3-dihydro-1H-indol-4-yl)éthynyl]-2,2-diméthyl-1,2-dihydro-3H-indol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 801.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 438.2±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 714574.94
ACD/LogD (pH 7.4): 8.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 714599.25
Polar Surface Area: 97 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 411.7±5.0 cm3

Click to predict properties on the Chemicalize site


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