copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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

C36H12CuF12N8O8S4 — CID 134915654

About copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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-tetrakis(trifluoromethylsulfonyl)-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 134915654) has the molecular formula C36H12CuF12N8O8S4 and a molecular weight of 1104.33 g/mol. Its IUPAC name is copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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-tetrakis(trifluoromethylsulfonyl)-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: 134915654
• Molecular Formula: C36H12CuF12N8O8S4
• Molecular Weight: 1104.33 g/mol
• Exact Mass: 1102.88
• IUPAC Name: copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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: O=S(=O)(c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S(=O)(=O)C(F)(F)F)cc41)-c1cc(S(=O)(=O)C(F)(F)F)ccc1-3)c1cc(S(=O)(=O)C(F)(F)F)ccc21)C(F)(F)F.[Cu+2]
• InChI: InChI=1S/C36H12F12N8O8S4.Cu/c37-33(38,39)65(57,58)13-1-5-17-21(9-13)29-50-25(17)49-26-18-6-2-14(66(59,60)34(40,41)42)10-22(18)30(51-26)53-28-20-8-4-16(68(63,64)36(46,47)48)12-24(20)32(55-28)56-31-23-11-15(67(61,62)35(43,44)45)3-7-19(23)27(52-29)54-31;/h1-12H;/q-2;+2
• InChIKey: JHKGUNKDNFIJRT-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 242.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1104.33
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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-tetrakis(trifluoromethylsulfonyl)-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 134915654) is copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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-tetrakis(trifluoromethylsulfonyl)-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-tetrakis(trifluoromethylsulfonyl)-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 O=S(=O)(c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S(=O)(=O)C(F)(F)F)cc41)-c1cc(S(=O)(=O)C(F)(F)F)ccc1-3)c1cc(S(=O)(=O)C(F)(F)F)ccc21)C(F)(F)F.[Cu+2].

What is the InChIKey of copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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 JHKGUNKDNFIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H12F12N8O8S4.Cu/c37-33(38,39)65(57,58)13-1-5-17-21(9-13)29-50-25(17)49-26-18-6-2-14(66(59,60)34(40,41)42)10-22(18)30(51-26)53-28-20-8-4-16(68(63,64)36(46,47)48)12-24(20)32(55-28)56-31-23-11-15(67(61,62)35(43,44)45)3-7-19(23)27(52-29)54-31;/h1-12H;/q-2;+2.

What are the key properties of copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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-tetrakis(trifluoromethylsulfonyl)-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 1104.33 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for copper 6,15,25,34-tetrakis(trifluoromethylsulfonyl)-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 134915654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).