copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide

C100H160Br4CuN12 — CID 134916028

About copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide

copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide (PubChem CID 134916028) has the molecular formula C100H160Br4CuN12 and a molecular weight of 1913.63 g/mol. Its IUPAC name is copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide.

Molecular Properties

• Compound Name: copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide
• PubChem CID: 134916028
• Molecular Formula: C100H160Br4CuN12
• Molecular Weight: 1913.63 g/mol
• Exact Mass: 1907.89
• IUPAC Name: copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide
• SMILES: CCCCCCCCCCCCCCCCCC[n+]1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc[n+](CCCCCCCCCCCCCCCCCC)c41)-c1ccc[n+](CCCCCCCCCCCCCCCCCC)c1-3)c1ccc[n+](CCCCCCCCCCCCCCCCCC)c21.[Br-].[Br-].[Br-].[Br-].[Cu+2]
• InChI: InChI=1S/C100H160N12.4BrH.Cu/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77-109-81-69-73-85-89(109)97-101-93(85)106-98-91-87(75-71-83-111(91)79-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)95(103-98)108-100-92-88(76-72-84-112(92)80-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)96(104-100)107-99-90-86(94(102-99)105-97)74-70-82-110(90)78-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;;;;;/h69-76,81-84H,5-68,77-80H2,1-4H3;4*1H;/q+2;;;;;+2/p-4
• InChIKey: DRFRZEZBEAGGIM-UHFFFAOYSA-J
• XLogP: 16.34
• TPSA: 121.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 68
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1913.63
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide?

The IUPAC name of copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide (CID 134916028) is copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide.

What is the SMILES notation for copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide?

The canonical SMILES for copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide is CCCCCCCCCCCCCCCCCC[n+]1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc[n+](CCCCCCCCCCCCCCCCCC)c41)-c1ccc[n+](CCCCCCCCCCCCCCCCCC)c1-3)c1ccc[n+](CCCCCCCCCCCCCCCCCC)c21.[Br-].[Br-].[Br-].[Br-].[Cu+2].

What is the InChIKey of copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide?

The InChIKey is DRFRZEZBEAGGIM-UHFFFAOYSA-J. The full InChI is InChI=1S/C100H160N12.4BrH.Cu/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77-109-81-69-73-85-89(109)97-101-93(85)106-98-91-87(75-71-83-111(91)79-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)95(103-98)108-100-92-88(76-72-84-112(92)80-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)96(104-100)107-99-90-86(94(102-99)105-97)74-70-82-110(90)78-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;;;;;/h69-76,81-84H,5-68,77-80H2,1-4H3;4*1H;/q+2;;;;;+2/p-4.

What are the key properties of copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide?

copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide has a molecular weight of 1913.63 g/mol, XLogP of 16.34, 68 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper;5,14,23,32-tetraoctadecyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;tetrabromide is sourced from PubChem (CID 134916028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).