ChemSpider 2D Image | 9,9'-(2,6-Pyridinediyl)bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione) | C39H45NO6

9,9'-(2,6-Pyridinediyl)bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione)

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID30656600

More details:

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

1H-Xanthene-1,8(2H)-dione, 9,9'-(2,6-pyridinediyl)bis[3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl- [ACD/Index Name]
9,9'-(2,6-Pyridindiyl)bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthen-1,8(2H)-dion) [German] [ACD/IUPAC Name]
9,9'-(2,6-Pyridinediyl)bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione) [ACD/IUPAC Name]
9,9'-(2,6-Pyridinediyl)bis(3,3,6,6-tétraméthyl-3,4,5,6,7,9-hexahydro-1H-xanthène-1,8(2H)-dione) [French] [ACD/IUPAC 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: 768.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.5±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 171.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4213.57
ACD/KOC (pH 5.5): 13680.06
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4214.59
ACD/KOC (pH 7.4): 13683.35
Polar Surface Area: 100 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 495.6±5.0 cm3

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