ChemSpider 2D Image | 12,18,24,29,34-Pentaoxa-1,9,15,21-tetraazatetracyclo[19.5.5.5~9,15~.1~3,7~]heptatriaconta-3(37),4,6-triene | C28H48N4O5

12,18,24,29,34-Pentaoxa-1,9,15,21-tetraazatetracyclo[19.5.5.59,15.13,7]heptatriaconta-3(37),4,6-triene

  • Molecular FormulaC28H48N4O5
  • Average mass520.705 Da
  • Monoisotopic mass520.362488 Da
  • ChemSpider ID8522061

More details:

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

12,18,24,29,34-Pentaoxa-1,9,15,21-tetraazatetracyclo[19.5.5.59,15.13,7]heptatriaconta-3(37),4,6-trien [German] [ACD/IUPAC Name]
12,18,24,29,34-Pentaoxa-1,9,15,21-tetraazatetracyclo[19.5.5.59,15.13,7]heptatriaconta-3(37),4,6-triene [ACD/IUPAC Name]
12,18,24,29,34-Pentaoxa-1,9,15,21-tétraazatétracyclo[19.5.5.59,15.13,7]heptatriaconta-3(37),4,6-triène [French] [ACD/IUPAC Name]
12,18,24,29,34-Pentaoxa-1,9,15,21-tetraazatetracyclo[19.5.5.59,15.13,7]heptatriaconta-3,5,7(37)-triene [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 166.6±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.38
Polar Surface Area: 59 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

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