copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide

C60H36CuN12O4 — CID 134989321

About copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide

copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide (PubChem CID 134989321) has the molecular formula C60H36CuN12O4 and a molecular weight of 1052.57 g/mol. Its IUPAC name is copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide.

Molecular Properties

• Compound Name: copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide
• PubChem CID: 134989321
• Molecular Formula: C60H36CuN12O4
• Molecular Weight: 1052.57 g/mol
• Exact Mass: 1051.23
• IUPAC Name: copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide
• SMILES: O=C(Nc1ccccc1)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(=O)Nc5ccccc5)cc41)-c1cc(C(=O)Nc4ccccc4)ccc1-3)c1cc(C(=O)Nc3ccccc3)ccc21.[Cu+2]
• InChI: InChI=1S/C60H38N12O4.Cu/c73-57(61-37-13-5-1-6-14-37)33-21-25-41-45(29-33)53-66-49(41)65-50-42-26-22-34(58(74)62-38-15-7-2-8-16-38)30-46(42)54(67-50)69-52-44-28-24-36(60(76)64-40-19-11-4-12-20-40)32-48(44)56(71-52)72-55-47-31-35(23-27-43(47)51(68-53)70-55)59(75)63-39-17-9-3-10-18-39;/h1-32H,(H6,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76);/q;+2/p-2
• InChIKey: ZJOGLUCRGAFGDR-UHFFFAOYSA-L
• XLogP: 11.13
• TPSA: 221.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.57
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide?

The IUPAC name of copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide (CID 134989321) is copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide.

What is the SMILES notation for copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide?

The canonical SMILES for copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(C(=O)Nc5ccccc5)cc41)-c1cc(C(=O)Nc4ccccc4)ccc1-3)c1cc(C(=O)Nc3ccccc3)ccc21.[Cu+2].

What is the InChIKey of copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide?

The InChIKey is ZJOGLUCRGAFGDR-UHFFFAOYSA-L. The full InChI is InChI=1S/C60H38N12O4.Cu/c73-57(61-37-13-5-1-6-14-37)33-21-25-41-45(29-33)53-66-49(41)65-50-42-26-22-34(58(74)62-38-15-7-2-8-16-38)30-46(42)54(67-50)69-52-44-28-24-36(60(76)64-40-19-11-4-12-20-40)32-48(44)56(71-52)72-55-47-31-35(23-27-43(47)51(68-53)70-55)59(75)63-39-17-9-3-10-18-39;/h1-32H,(H6,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76);/q;+2/p-2.

What are the key properties of copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide?

copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide has a molecular weight of 1052.57 g/mol, XLogP of 11.13, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6-N,15-N,25-N,34-N-tetraphenyl-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-6,15,25,34-tetracarboxamide is sourced from PubChem (CID 134989321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).