ChemSpider 2D Image | 28,29,30,31,32,33-Hexaazaheptacyclo[22.3.1.1~2,5~.1~6,10~.1~11,14~.1~15,19~.1~20,23~]tritriaconta-1(28),2,4,6(32),7,9,11,13,15(30),16,18,20,22,24,26-pentadecaene | C27H18N6

28,29,30,31,32,33-Hexaazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15(30),16,18,20,22,24,26-pentadecaene

  • Molecular FormulaC27H18N6
  • Average mass426.472 Da
  • Monoisotopic mass426.159302 Da
  • ChemSpider ID74118789

More details:

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

28,29,30,31,32,33-Hexaazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15(30),16,18,20,22,24,26-pentadecaen [German] [ACD/IUPAC Name]
28,29,30,31,32,33-Hexaazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15(30),16,18,20,22,24,26-pentadecaene [ACD/IUPAC Name]
28,29,30,31,32,33-Hexaazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15(30),16,18,20,22,24,26-pentadécaène [French] [ACD/IUPAC Name]
28,29,30,31,32,33-Hexaazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6,8,10(32),11,13,15,17,19(30),20,22,24,26-pentadecaene [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 911.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 580.6±19.3 °C
Index of Refraction: 1.847
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 86 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

Click to predict properties on the Chemicalize site


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