ChemSpider 2D Image | 10-[4-(2,6-Diphenyl-4-pyridinyl)phenyl]-1,4-dioxa-7,13-dithia-10-azacyclopentadecane | C33H36N2O2S2

10-[4-(2,6-Diphenyl-4-pyridinyl)phenyl]-1,4-dioxa-7,13-dithia-10-azacyclopentadecane

  • Molecular FormulaC33H36N2O2S2
  • Average mass556.781 Da
  • Monoisotopic mass556.221802 Da
  • ChemSpider ID21155916

More details:

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

1,4-Dioxa-7,13-dithia-10-azacyclopentadecane, 10-[4-(2,6-diphenyl-4-pyridinyl)phenyl]- [ACD/Index Name]
10-[4-(2,6-Diphenyl-4-pyridinyl)phenyl]-1,4-dioxa-7,13-dithia-10-azacyclopentadecan [German] [ACD/IUPAC Name]
10-[4-(2,6-Diphenyl-4-pyridinyl)phenyl]-1,4-dioxa-7,13-dithia-10-azacyclopentadecane [ACD/IUPAC Name]
10-[4-(2,6-Diphényl-4-pyridinyl)phényl]-1,4-dioxa-7,13-dithia-10-azacyclopentadécane [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 124724.71
ACD/KOC (pH 5.5): 147677.36
ACD/LogD (pH 7.4): 7.10
ACD/BCF (pH 7.4): 146277.28
ACD/KOC (pH 7.4): 173196.16
Polar Surface Area: 85 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 491.5±3.0 cm3

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