ChemSpider 2D Image | 4'-[4-(Di-1H-pyrrol-2-ylmethyl)phenyl]-2,2':6',2''-terpyridine | C30H23N5

4'-[4-(Di-1H-pyrrol-2-ylmethyl)phenyl]-2,2':6',2''-terpyridine

  • Molecular FormulaC30H23N5
  • Average mass453.537 Da
  • Monoisotopic mass453.195343 Da
  • ChemSpider ID28579538

More details:

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

2,2':6',2''-Terpyridine, 4'-[4-(di-1H-pyrrol-2-ylmethyl)phenyl]- [ACD/Index Name]
4'-[4-(Di-1H-pyrrol-2-ylmethyl)phenyl]-2,2':6',2''-terpyridin [German] [ACD/IUPAC Name]
4'-[4-(Di-1H-pyrrol-2-ylmethyl)phenyl]-2,2':6',2''-terpyridine [ACD/IUPAC Name]
4'-[4-(Di-1H-pyrrol-2-ylméthyl)phényl]-2,2':6',2''-terpyridine [French] [ACD/IUPAC Name]
24-{4-[Di(1H-pyrrol-2-yl)methyl]phenyl}-12,22:26,32-terpyridine
799292-09-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 292.6±24.5 °C
Index of Refraction: 1.674
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8266.30
ACD/KOC (pH 5.5): 21572.26
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9077.34
ACD/KOC (pH 7.4): 23688.78
Polar Surface Area: 70 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 364.8±3.0 cm3

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