copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C52H28CuN12 — CID 134989584

About copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 134989584) has the molecular formula C52H28CuN12 and a molecular weight of 884.43 g/mol. Its IUPAC name is copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• PubChem CID: 134989584
• Molecular Formula: C52H28CuN12
• Molecular Weight: 884.43 g/mol
• Exact Mass: 883.19
• IUPAC Name: copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• SMILES: [Cu+2].c1ccc(-c2ccc3c(c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(-c6ccccn6)cc52)-c2cc(-c5ccccn5)ccc2-4)c2cc(-c4ccccn4)ccc32)nc1
• InChI: InChI=1S/C52H28N12.Cu/c1-5-21-53-41(9-1)29-13-17-33-37(25-29)49-58-45(33)57-46-34-18-14-30(42-10-2-6-22-54-42)26-38(34)50(59-46)61-48-36-20-16-32(44-12-4-8-24-56-44)28-40(36)52(63-48)64-51-39-27-31(43-11-3-7-23-55-43)15-19-35(39)47(60-49)62-51;/h1-28H;/q-2;+2
• InChIKey: XNGGBKUZEPQHEN-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 157.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.43
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The IUPAC name of copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 134989584) is copper 6,15,25,34-tetrapyridin-2-yl-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(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 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The canonical SMILES for copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is [Cu+2].c1ccc(-c2ccc3c(c2)-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(-c6ccccn6)cc52)-c2cc(-c5ccccn5)ccc2-4)c2cc(-c4ccccn4)ccc32)nc1.

What is the InChIKey of copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The InChIKey is XNGGBKUZEPQHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N12.Cu/c1-5-21-53-41(9-1)29-13-17-33-37(25-29)49-58-45(33)57-46-34-18-14-30(42-10-2-6-22-54-42)26-38(34)50(59-46)61-48-36-20-16-32(44-12-4-8-24-56-44)28-40(36)52(63-48)64-51-39-27-31(43-11-3-7-23-55-43)15-19-35(39)47(60-49)62-51;/h1-28H;/q-2;+2.

What are the key properties of copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 884.43 g/mol, XLogP of 10.37, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6,15,25,34-tetrapyridin-2-yl-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 134989584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).