ChemSpider 2D Image | (1R,9Z,11S,13R,14S,17S,25Z,27S,28Z,30S,33S,35R,37Z,38R)-29,36-Diallyl-28,37-bis(2-hydroxyethylidene)-8,24-diaza-29,36-diazoniaundecacyclo[25.5.2.2~11,14~.1~1,8~.1~10,17~.0~2,7~.0~13,17~.0~18,23~.0~24, 35~.0~26,38~.0~30,33~]octatriaconta-2,4,6,9,18,20,22,25-octaene | C44H50N4O2

(1R,9Z,11S,13R,14S,17S,25Z,27S,28Z,30S,33S,35R,37Z,38R)-29,36-Diallyl-28,37-bis(2-hydroxyethylidene)-8,24-diaza-29,36-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024, 35.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaene

  • Molecular FormulaC44H50N4O2
  • Average mass666.892 Da
  • Monoisotopic mass666.392273 Da
  • ChemSpider ID5036633

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,9Z,11S,13R,14S,17S,25Z,27S,28Z,30S,33S,35R,37Z,38R)-29,36-Diallyl-28,37-bis(2-hydroxyethyliden)-8,24-diaza-29,36-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,3 5.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaen [German] [ACD/IUPAC Name]
(1R,9Z,11S,13R,14S,17S,25Z,27S,28Z,30S,33S,35R,37Z,38R)-29,36-Diallyl-28,37-bis(2-hydroxyethylidene)-8,24-diaza-29,36-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024, 35.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaene [ACD/IUPAC Name]
(1R,9Z,11S,13R,14S,17S,25Z,27S,28Z,30S,33S,35R,37Z,38R)-29,36-Diallyl-28,37-bis(2-hydroxyéthylidène)-8,24-diaza-29,36-diazoniaundécacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024, 35.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaène [French] [ACD/IUPAC Name]
1,21:12,10-Di(iminomethano)-19aH,20bH-dicyclopenta[f,f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazolium, 1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-23,26-bis(2-hydroxyethylidene)-24,25-di-2-prope n-1-yl-, (1S,3aR,9Z,10S,11aR,12S,14aS,19aR,20Z,20bR,21S,22aS,23Z,26Z)- [ACD/Index Name]

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

NCGC00016712-01 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 1886.54
ACD/KOC (pH 5.5): 3626.36
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24821.38
ACD/KOC (pH 7.4): 47712.35
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

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