ChemSpider 2D Image | 2,2'-Di(3-pyridinyl)-1H,1'H-2,2'-biindene-1,1',3,3'(2H,2'H)-tetrone | C28H16N2O4

2,2'-Di(3-pyridinyl)-1H,1'H-2,2'-biindene-1,1',3,3'(2H,2'H)-tetrone

  • Molecular FormulaC28H16N2O4
  • Average mass444.438 Da
  • Monoisotopic mass444.110992 Da
  • ChemSpider ID57458706

More details:

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

[2,2'-Bi-1H-indene]-1,1',3,3'(2H,2'H)-tetrone, 2,2'-di-3-pyridinyl- [ACD/Index Name]
2,2'-Di(3-pyridinyl)-1H,1'H-2,2'-biinden-1,1',3,3'(2H,2'H)-tetron [German] [ACD/IUPAC Name]
2,2'-Di(3-pyridinyl)-1H,1'H-2,2'-biindene-1,1',3,3'(2H,2'H)-tetrone [ACD/IUPAC Name]
2,2'-Di(3-pyridinyl)-1H,1'H-2,2'-biindène-1,1',3,3'(2H,2'H)-tétrone [French] [ACD/IUPAC Name]
2,2'-Di(pyridin-3-yl)-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone
2,2'-Di(pyridin-3-yl)-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetrone
64487-72-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 704.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 353.5±39.3 °C
Index of Refraction: 1.709
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2641.66
ACD/KOC (pH 5.5): 9560.01
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2873.45
ACD/KOC (pH 7.4): 10398.84
Polar Surface Area: 94 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

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