ChemSpider 2D Image | 3,9,12,18,21,27,30,36-Octaisobutyl-4,8,13,17,22,26,31,35-octamethyl-6,15,24,33-tetraphenyl-37,38,39,40,41,42,43,44-octaazanonacyclo[32.2.1.1~2,5~.1~7,10~.1~11,14~.1~16,19~.1~20,23~.1~25,28~.1~29,32~]t etratetraconta-1(37),2,4,6,8,10(43),11,13,15,17,19(41),20,22,24,26,28(39),29,31,33,35-icosaene | C100H120N8

3,9,12,18,21,27,30,36-Octaisobutyl-4,8,13,17,22,26,31,35-octamethyl-6,15,24,33-tetraphenyl-37,38,39,40,41,42,43,44-octaazanonacyclo[32.2.1.12,5.17,10.111,14.116,19.120,23.125,28.129,32]t etratetraconta-1(37),2,4,6,8,10(43),11,13,15,17,19(41),20,22,24,26,28(39),29,31,33,35-icosaene

  • Molecular FormulaC100H120N8
  • Average mass1434.076 Da
  • Monoisotopic mass1432.963623 Da
  • ChemSpider ID30658933

  • Double-bond stereo - Double-bond stereo

More details:

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

3,9,12,18,21,27,30,36-Octaisobutyl-4,8,13,17,22,26,31,35-octamethyl-6,15,24,33-tetraphenyl-37,38,39,40,41,42,43,44-octaazanonacyclo[32.2.1.12,5.17,10.111,14.116,19.120,23.125,28.129,32]t etratetraconta-1(37),2,4,6,8,10(43),11,13,15,17,19(41),20,22,24,26,28(39),29,31,33,35-icosaen [German] [ACD/IUPAC Name]
3,9,12,18,21,27,30,36-Octaisobutyl-4,8,13,17,22,26,31,35-octamethyl-6,15,24,33-tetraphenyl-37,38,39,40,41,42,43,44-octaazanonacyclo[32.2.1.12,5.17,10.111,14.116,19.120,23.125,28.129,32]t etratetraconta-1(37),2,4,6,8,10(43),11,13,15,17,19(41),20,22,24,26,28(39),29,31,33,35-icosaene [ACD/IUPAC Name]
3,9,12,18,21,27,30,36-Octaisobutyl-4,8,13,17,22,26,31,35-octaméthyl-6,15,24,33-tétraphényl-37,38,39,40,41,42,43,44-octaazanonacyclo[32.2.1.12,5.17,10.111,14.116,19.120,23.125,28.129,32]t étratétraconta-1(37),2,4,6,8,10(43),11,13,15,17,19(41),20,22,24,26,28(39),29,31,33,35-icosaène [French] [ACD/IUPAC Name]
37,38,39,40,41,42,43,44-Octaazanonacyclo[32.2.1.12,5.17,10.111,14.116,19.120,23.125,28.129,32]tetratetraconta-1(37),2,4,6,8,10(43),11,13,15,17,19(41),20,22,24,26,28(39),29,31,33,35-eicos
 aene, 4,8,13,17,22,26,31,35-octamethyl-3,9,12,18,21,27,30,36-octakis(2-methylpropyl)-6,15,24,33-tetraphenyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 450.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 28.79
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: 113 Å2
Polarizability: 178.5±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 1280.3±7.0 cm3

Click to predict properties on the Chemicalize site


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