ChemSpider 2D Image | 3'-(2,4-Dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyldihydro-2H,2'H,5H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'(3'H,5'H)-tetrone | C36H39N3O6

3'-(2,4-Dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyldihydro-2H,2'H,5H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'(3'H,5'H)-tetrone

  • Molecular FormulaC36H39N3O6
  • Average mass609.711 Da
  • Monoisotopic mass609.283875 Da
  • ChemSpider ID22495746

More details:

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

3'-(2,4-Dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyldihydro-2H,2'H,5H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'(3'H,5'H)-tetrone [ACD/IUPAC Name]
Spiro[pyrrolidine-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-2,4',5,6'(5'H)-tetrone, 3'-(2,4-dimethoxyphenyl)tetrahydro-1,5'-bis(4-methylphenyl)-2'-pentyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 852.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.1±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4339.51
ACD/KOC (pH 5.5): 13863.56
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4459.08
ACD/KOC (pH 7.4): 14245.55
Polar Surface Area: 96 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 463.1±5.0 cm3

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