ChemSpider 2D Image | 3,6,9,12,15-Pentakis[(4-methylphenyl)sulfonyl]-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene | C51H59N5O10S5

3,6,9,12,15-Pentakis[(4-methylphenyl)sulfonyl]-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene

  • Molecular FormulaC51H59N5O10S5
  • Average mass1062.367 Da
  • Monoisotopic mass1061.286499 Da
  • ChemSpider ID9472690

More details:

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

3,6,9,12,15-Pentaazabicyclo[15.3.1]heneicosa-1(21),17,19-triene, 3,6,9,12,15-pentakis[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
3,6,9,12,15-Pentakis[(4-methylphenyl)sulfonyl]-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien [German] [ACD/IUPAC Name]
3,6,9,12,15-Pentakis[(4-methylphenyl)sulfonyl]-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene [ACD/IUPAC Name]
3,6,9,12,15-Pentakis[(4-méthylphényl)sulfonyl]-3,6,9,12,15-pentaazabicyclo[15.3.1]hénicosa-1(21),17,19-triène [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: 1093.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.9±3.0 kJ/mol
Flash Point: 614.9±37.1 °C
Index of Refraction: 1.616
Molar Refractivity: 281.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 8.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1670083.75
ACD/LogD (pH 7.4): 8.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1670083.75
Polar Surface Area: 229 Å2
Polarizability: 111.5±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 804.4±3.0 cm3

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