ChemSpider 2D Image | 1,19,24,24,33,33-Hexamethyl-6,14,38,39,40,41-hexaazaheptacyclo[17.9.9.1~8,12~.1~20,23~.1~25,28~.1~29,32~.1~34,37~]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione | C42H52N6O2

1,19,24,24,33,33-Hexamethyl-6,14,38,39,40,41-hexaazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione

  • Molecular FormulaC42H52N6O2
  • Average mass672.901 Da
  • Monoisotopic mass672.415161 Da
  • ChemSpider ID9517796

More details:

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

1,19,24,24,33,33-Hexamethyl-6,14,38,39,40,41-hexaazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaen-7,13-dion [German] [ACD/IUPAC Name]
1,19,24,24,33,33-Hexamethyl-6,14,38,39,40,41-hexaazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8(42),9,11,20,22,25,27,29,31,34,36-undecaene-7,13-dione [ACD/IUPAC Name]
1,19,24,24,33,33-Hexaméthyl-6,14,38,39,40,41-hexaazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotétraconta-8(42),9,11,20,22,25,27,29,31,34,36-undécaène-7,13-dione [French] [ACD/IUPAC Name]
6,14,38,39,40,41-Hexaazaheptacyclo[17.9.9.18,12.120,23.125,28.129,32.134,37]dotetraconta-8,10,12(42),20,22,25,27,29,31,34,36-undecaene-7,13-dione, 1,19,24,24,33,33-hexamethyl- [ACD/Index 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: 904.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 500.7±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 198.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 112503.38
ACD/KOC (pH 5.5): 143524.06
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 112503.63
ACD/KOC (pH 7.4): 143524.38
Polar Surface Area: 121 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 596.0±3.0 cm3

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