ChemSpider 2D Image | (5Z)-2-Amino-4,6-dimethyl-5-[(5-methyl-1,2-diphenyl-1H-pyrrol-3-yl)methylene]-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile | C30H23N5

(5Z)-2-Amino-4,6-dimethyl-5-[(5-methyl-1,2-diphenyl-1H-pyrrol-3-yl)methylene]-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

  • Molecular FormulaC30H23N5
  • Average mass453.537 Da
  • Monoisotopic mass453.195343 Da
  • ChemSpider ID81177344

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-2-Amino-4,6-dimethyl-5-[(5-methyl-1,2-diphenyl-1H-pyrrol-3-yl)methylen]-5H-cyclopenta[b]pyridin-3,7-dicarbonitril [German] [ACD/IUPAC Name]
(5Z)-2-Amino-4,6-dimethyl-5-[(5-methyl-1,2-diphenyl-1H-pyrrol-3-yl)methylene]-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile [ACD/IUPAC Name]
(5Z)-2-Amino-4,6-diméthyl-5-[(5-méthyl-1,2-diphényl-1H-pyrrol-3-yl)méthylène]-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile [French] [ACD/IUPAC Name]
5H-Cyclopenta[b]pyridine-3,7-dicarbonitrile, 2-amino-4,6-dimethyl-5-[(5-methyl-1,2-diphenyl-1H-pyrrol-3-yl)methylene]-, (5Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89985.12
ACD/KOC (pH 5.5): 122393.42
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89997.27
ACD/KOC (pH 7.4): 122409.95
Polar Surface Area: 91 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

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