copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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

C76H112CuN12+4 — CID 135065040

About copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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

copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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 (PubChem CID 135065040) has the molecular formula C76H112CuN12+4 and a molecular weight of 1257.36 g/mol. Its IUPAC name is copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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.

Molecular Properties

• Compound Name: copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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
• PubChem CID: 135065040
• Molecular Formula: C76H112CuN12+4
• Molecular Weight: 1257.36 g/mol
• Exact Mass: 1255.84
• IUPAC Name: copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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
• SMILES: CCCCCCCCCCCC[n+]1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc[n+](CCCCCCCCCCCC)cc41)-c1cc[n+](CCCCCCCCCCCC)cc1-3)c1cc[n+](CCCCCCCCCCCC)cc21.[Cu+2]
• InChI: InChI=1S/C76H112N12.Cu/c1-5-9-13-17-21-25-29-33-37-41-49-85-53-45-61-65(57-85)73-77-69(61)82-74-67-59-87(51-43-39-35-31-27-23-19-15-11-7-3)55-47-63(67)71(79-74)84-76-68-60-88(52-44-40-36-32-28-24-20-16-12-8-4)56-48-64(68)72(80-76)83-75-66-58-86(54-46-62(66)70(78-75)81-73)50-42-38-34-30-26-22-18-14-10-6-2;/h45-48,53-60H,5-44,49-52H2,1-4H3;/q2*+2
• InChIKey: CCNCEDKPRLQOKB-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 121.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 44
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.36
LogP ≤ 5	18.96
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 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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?

The IUPAC name of copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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 (CID 135065040) is copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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.

What is the SMILES notation for copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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?

The canonical SMILES for copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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 is CCCCCCCCCCCC[n+]1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc[n+](CCCCCCCCCCCC)cc41)-c1cc[n+](CCCCCCCCCCCC)cc1-3)c1cc[n+](CCCCCCCCCCCC)cc21.[Cu+2].

What is the InChIKey of copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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?

The InChIKey is CCNCEDKPRLQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H112N12.Cu/c1-5-9-13-17-21-25-29-33-37-41-49-85-53-45-61-65(57-85)73-77-69(61)82-74-67-59-87(51-43-39-35-31-27-23-19-15-11-7-3)55-47-63(67)71(79-74)84-76-68-60-88(52-44-40-36-32-28-24-20-16-12-8-4)56-48-64(68)72(80-76)83-75-66-58-86(54-46-62(66)70(78-75)81-73)50-42-38-34-30-26-22-18-14-10-6-2;/h45-48,53-60H,5-44,49-52H2,1-4H3;/q2*+2.

What are the key properties of copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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?

copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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 has a molecular weight of 1257.36 g/mol, XLogP of 18.96, 44 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6,15,24,33-tetradodecyl-2,11,20,29,37,39-hexaza-6,15,24,33-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 is sourced from PubChem (CID 135065040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).