copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide

C72H88CuN16O8 — CID 134915815

About copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide

copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide (PubChem CID 134915815) has the molecular formula C72H88CuN16O8 and a molecular weight of 1369.15 g/mol. Its IUPAC name is copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide.

Molecular Properties

• Compound Name: copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide
• PubChem CID: 134915815
• Molecular Formula: C72H88CuN16O8
• Molecular Weight: 1369.15 g/mol
• Exact Mass: 1367.63
• IUPAC Name: copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide
• SMILES: CCN(CC)C(=O)c1cc2c(cc1C(=O)N(CC)CC)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(C(=O)N(CC)CC)c(C(=O)N(CC)CC)cc41)-c1cc(C(=O)N(CC)CC)c(C(=O)N(CC)CC)cc1-3)c1cc(C(=O)N(CC)CC)c(C(=O)N(CC)CC)cc21.[Cu+2]
• InChI: InChI=1S/C72H90N16O8.Cu/c1-17-81(18-2)65(89)49-33-41-42(34-50(49)66(90)82(19-3)20-4)58-73-57(41)77-59-43-35-51(67(91)83(21-5)22-6)52(68(92)84(23-7)24-8)36-44(43)61(74-59)79-63-47-39-55(71(95)87(29-13)30-14)56(72(96)88(31-15)32-16)40-48(47)64(76-63)80-62-46-38-54(70(94)86(27-11)28-12)53(69(93)85(25-9)26-10)37-45(46)60(75-62)78-58;/h33-40H,17-32H2,1-16H3,(H2,73,74,75,76,77,78,79,80,89,90,91,92,93,94,95,96);/q;+2/p-2
• InChIKey: ILDQSSGFPSVCAC-UHFFFAOYSA-L
• XLogP: 9.98
• TPSA: 268.02 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.15
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide?

The IUPAC name of copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide (CID 134915815) is copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide.

What is the SMILES notation for copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide?

The canonical SMILES for copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide is CCN(CC)C(=O)c1cc2c(cc1C(=O)N(CC)CC)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(C(=O)N(CC)CC)c(C(=O)N(CC)CC)cc41)-c1cc(C(=O)N(CC)CC)c(C(=O)N(CC)CC)cc1-3)c1cc(C(=O)N(CC)CC)c(C(=O)N(CC)CC)cc21.[Cu+2].

What is the InChIKey of copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide?

The InChIKey is ILDQSSGFPSVCAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C72H90N16O8.Cu/c1-17-81(18-2)65(89)49-33-41-42(34-50(49)66(90)82(19-3)20-4)58-73-57(41)77-59-43-35-51(67(91)83(21-5)22-6)52(68(92)84(23-7)24-8)36-44(43)61(74-59)79-63-47-39-55(71(95)87(29-13)30-14)56(72(96)88(31-15)32-16)40-48(47)64(76-63)80-62-46-38-54(70(94)86(27-11)28-12)53(69(93)85(25-9)26-10)37-45(46)60(75-62)78-58;/h33-40H,17-32H2,1-16H3,(H2,73,74,75,76,77,78,79,80,89,90,91,92,93,94,95,96);/q;+2/p-2.

What are the key properties of copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide?

copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide has a molecular weight of 1369.15 g/mol, XLogP of 9.98, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6-N,6-N,7-N,7-N,15-N,15-N,16-N,16-N,24-N,24-N,25-N,25-N,33-N,33-N,34-N,34-N-hexadecaethyl-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-6,7,15,16,24,25,33,34-octacarboxamide is sourced from PubChem (CID 134915815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).