ChemSpider 2D Image | 4',4''-(1,4-Phenylene)bis(2,2':3',2''-terpyridine) | C36H24N6

4',4''-(1,4-Phenylene)bis(2,2':3',2''-terpyridine)

  • Molecular FormulaC36H24N6
  • Average mass540.616 Da
  • Monoisotopic mass540.206238 Da
  • ChemSpider ID67494329

More details:

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

2,2':3',2''-Terpyridine, 4',4''-(1,4-phenylene)bis- [ACD/Index Name]
4',4''-(1,4-Phenylen)bis(2,2':3',2''-terpyridin) [German] [ACD/IUPAC Name]
4',4''-(1,4-Phenylene)bis(2,2':3',2''-terpyridine) [ACD/IUPAC Name]
4',4''-(1,4-Phénylène)bis(2,2':3',2''-terpyridine) [French] [ACD/IUPAC Name]
1,4-bis(terpyridine-4'-yl)benzene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 630.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 324.1±16.5 °C
Index of Refraction: 1.659
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2635.00
ACD/KOC (pH 5.5): 9714.90
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2693.67
ACD/KOC (pH 7.4): 9931.18
Polar Surface Area: 77 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 440.5±3.0 cm3

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