zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide

C80H64I8N16O8Zn — CID 24777553

About zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide

zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide (PubChem CID 24777553) has the molecular formula C80H64I8N16O8Zn and a molecular weight of 2458.12 g/mol. Its IUPAC name is zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide.

Molecular Properties

• Compound Name: zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide
• PubChem CID: 24777553
• Molecular Formula: C80H64I8N16O8Zn
• Molecular Weight: 2458.12 g/mol
• Exact Mass: 2455.67
• IUPAC Name: zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide
• SMILES: C[n+]1cccc(Oc2cc3c(cc2Oc2ccc[n+](C)c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2cc(Oc6ccc[n+](C)c6)c(Oc6ccc[n+](C)c6)cc52)-c2cc(Oc5ccc[n+](C)c5)c(Oc5ccc[n+](C)c5)cc2-4)c2cc(Oc4ccc[n+](C)c4)c(Oc4ccc[n+](C)c4)cc32)c1.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[Zn+2]
• InChI: InChI=1S/C80H64N16O8.8HI.Zn/c1-89-25-9-17-49(41-89)97-65-33-57-58(34-66(65)98-50-18-10-26-90(2)42-50)74-81-73(57)85-75-59-35-67(99-51-19-11-27-91(3)43-51)68(100-52-20-12-28-92(4)44-52)36-60(59)77(82-75)87-79-63-39-71(103-55-23-15-31-95(7)47-55)72(104-56-24-16-32-96(8)48-56)40-64(63)80(84-79)88-78-62-38-70(102-54-22-14-30-94(6)46-54)69(37-61(62)76(83-78)86-74)101-53-21-13-29-93(5)45-53;;;;;;;;;/h9-48H,1-8H3;8*1H;/q+6;;;;;;;;;+2/p-8
• InChIKey: DFLQQIOJIVNVIU-UHFFFAOYSA-F
• XLogP: -12.91
• TPSA: 210.42 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2458.12
LogP ≤ 5	-12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide?

The IUPAC name of zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide (CID 24777553) is zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide.

What is the SMILES notation for zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide?

The canonical SMILES for zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide is C[n+]1cccc(Oc2cc3c(cc2Oc2ccc[n+](C)c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2cc(Oc6ccc[n+](C)c6)c(Oc6ccc[n+](C)c6)cc52)-c2cc(Oc5ccc[n+](C)c5)c(Oc5ccc[n+](C)c5)cc2-4)c2cc(Oc4ccc[n+](C)c4)c(Oc4ccc[n+](C)c4)cc32)c1.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[Zn+2].

What is the InChIKey of zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide?

The InChIKey is DFLQQIOJIVNVIU-UHFFFAOYSA-F. The full InChI is InChI=1S/C80H64N16O8.8HI.Zn/c1-89-25-9-17-49(41-89)97-65-33-57-58(34-66(65)98-50-18-10-26-90(2)42-50)74-81-73(57)85-75-59-35-67(99-51-19-11-27-91(3)43-51)68(100-52-20-12-28-92(4)44-52)36-60(59)77(82-75)87-79-63-39-71(103-55-23-15-31-95(7)47-55)72(104-56-24-16-32-96(8)48-56)40-64(63)80(84-79)88-78-62-38-70(102-54-22-14-30-94(6)46-54)69(37-61(62)76(83-78)86-74)101-53-21-13-29-93(5)45-53;;;;;;;;;/h9-48H,1-8H3;8*1H;/q+6;;;;;;;;;+2/p-8.

What are the key properties of zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide?

zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide has a molecular weight of 2458.12 g/mol, XLogP of -12.91, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;6,7,15,16,24,25,33,34-octakis[(1-methylpyridin-1-ium-3-yl)oxy]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;octaiodide is sourced from PubChem (CID 24777553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).