ChemSpider 2D Image | (6Z,16Z,25Z,37Z)-41,42,43,44,45,46,47,48-Octaazanonacyclo[36.2.1.1~2,5~.1~7,10~.1~13,16~.1~18,21~.1~22,25~.1~27,30~.1~33,36~]octatetraconta-1(41),2,4,6,8,10(47),13(46),14,16,18,20,22(44),23,25,27,29,3
3,35,37,39-icosaene | C40H32N8

(6Z,16Z,25Z,37Z)-41,42,43,44,45,46,47,48-Octaazanonacyclo[36.2.1.12,5.17,10.113,16.118,21.122,25.127,30.133,36]octatetraconta-1(41),2,4,6,8,10(47),13(46),14,16,18,20,22(44),23,25,27,29,3 3,35,37,39-icosaene

  • Molecular FormulaC40H32N8
  • Average mass624.736 Da
  • Monoisotopic mass624.274963 Da
  • ChemSpider ID71049009
  • Double-bond stereo - Double-bond stereo


More details:






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

(6Z,16Z,25Z,37Z)-41,42,43,44,45,46,47,48-Octaazanonacyclo[36.2.1.12,5.17,10.113,16.118,21.122,25.127,30.133,36]octatetraconta-1(41),2,4,6,8,10(47),13(46),14,16,18,20,22(44),23,25,27,29,3 3,35,37,39-icosaen [German] [ACD/IUPAC Name]
(6Z,16Z,25Z,37Z)-41,42,43,44,45,46,47,48-Octaazanonacyclo[36.2.1.12,5.17,10.113,16.118,21.122,25.127,30.133,36]octatetraconta-1(41),2,4,6,8,10(47),13(46),14,16,18,20,22(44),23,25,27,29,3 3,35,37,39-icosaene [ACD/IUPAC Name]
(6Z,16Z,25Z,37Z)-41,42,43,44,45,46,47,48-Octaazanonacyclo[36.2.1.12,5.17,10.113,16.118,21.122,25.127,30.133,36]octatétraconta-1(41),2,4,6,8,10(47),13(46),14,16,18,20,22(44),23,25,27,29,3 3,35,37,39-icosaène [French] [ACD/IUPAC Name]
41,42,43,44,45,46,47,48-Octaazanonacyclo[36.2.1.12,5.17,10.113,16.118,21.122,25.127,30.133,36]octatetraconta-1(41),2,4,6,8,10(47),13(46),14,16,18,20,22(44),23,25,27,29,33,35,37,39-eicosa
 ene, (6Z,16Z,25Z,37Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.764
Molar Refractivity: 188.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.17
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: 74.7±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 456.1±7.0 cm3

Click to predict properties on the Chemicalize site






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