ChemSpider 2D Image | 38,41-Dioxa-2,17,19,34,35,44-hexaazahexacyclo[16.16.10.0~3,8~.0~11,16~.0~20,25~.0~28,33~]tetratetraconta-1(35),3,5,7,11,13,15,18(44),20,22,24,28,30,32-tetradecaene | C36H40N6O2

38,41-Dioxa-2,17,19,34,35,44-hexaazahexacyclo[16.16.10.03,8.011,16.020,25.028,33]tetratetraconta-1(35),3,5,7,11,13,15,18(44),20,22,24,28,30,32-tetradecaene

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID8778831

More details:

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

38,41-Dioxa-2,17,19,34,35,44-hexaazahexacyclo[16.16.10.03,8.011,16.020,25.028,33]tetratetraconta-1(35),3,5,7,11,13,15,18(44),20,22,24,28,30,32-tetradecaen [German] [ACD/IUPAC Name]
38,41-Dioxa-2,17,19,34,35,44-hexaazahexacyclo[16.16.10.03,8.011,16.020,25.028,33]tetratetraconta-1(35),3,5,7,11,13,15,18(44),20,22,24,28,30,32-tetradecaene [ACD/IUPAC Name]
38,41-Dioxa-2,17,19,34,35,44-hexaazahexacyclo[16.16.10.03,8.011,16.020,25.028,33]tétratétraconta-1(35),3,5,7,11,13,15,18(44),20,22,24,28,30,32-tétradécaène [French] [ACD/IUPAC Name]
6,19-(Nitriloethanooxyethanooxyethanonitrilo)tetrabenzo[d,h,m,q][1,3,10,12]tetraazacyclooctadecine, 5,7,12,13,18,20,25,26-octahydro- [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: 728.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.2±35.7 °C
Index of Refraction: 1.644
Molar Refractivity: 174.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1007.35
ACD/KOC (pH 5.5): 2180.42
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16157.35
ACD/KOC (pH 7.4): 34972.56
Polar Surface Area: 91 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 481.1±7.0 cm3

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