dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide

C169H132Co2Cu2N42O16S6 — CID 159857626

About dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide

dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide (PubChem CID 159857626) has the molecular formula C169H132Co2Cu2N42O16S6 and a molecular weight of 3444.55 g/mol. Its IUPAC name is dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide.

Molecular Properties

• Compound Name: dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide
• PubChem CID: 159857626
• Molecular Formula: C169H132Co2Cu2N42O16S6
• Molecular Weight: 3444.55 g/mol
• Exact Mass: 3440.64
• IUPAC Name: dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide
• SMILES: Cc1ncc(CCCCNC(=O)c2cccc3c2-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(CO)cc52)-c2cc(CO)ccc2-4)c2c3CC=C(CO)C2)[nH]1.Cc1ncc(CCCCNC(=O)c2cccc3c2-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(S(=O)(=O)O)cc52)-c2cc(S(O)(O)O)ccc2-4)c2c3CC=C(S(O)(O)O)C2)[nH]1.O=C(NCCCCc1cccnc1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S)cc41)-c1cc(S)ccc1-3)c1c2CC=C(S)C1.O=C(NCCCCc1cccnc1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1c2CC=CC1.[Co+2].[Co+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/C44H38N11O4.C42H31N10OS3.C42H31N10O.C41H36N11O10S3.2Co.2Cu/c1-22-46-18-26(47-22)5-2-3-14-45-44(59)31-7-4-6-30-35(31)43-54-38-29-13-10-25(21-58)17-34(29)42(52-38)53-41-33-16-24(20-57)9-12-28(33)37(51-41)50-40-32-15-23(19-56)8-11-27(32)36(49-40)48-39(30)55-43;53-42(44-16-2-1-5-21-6-4-15-43-20-21)29-8-3-7-28-33(29)41-51-36-27-14-11-24(56)19-32(27)40(49-36)50-39-31-18-23(55)10-13-26(31)35(48-39)47-38-30-17-22(54)9-12-25(30)34(46-38)45-37(28)52-41;53-42(44-22-8-7-11-24-12-10-21-43-23-24)32-20-9-19-31-33(32)41-51-39-30-18-6-5-17-29(30)37(49-39)47-35-26-14-2-1-13-25(26)34(45-35)46-36-27-15-3-4-16-28(27)38(48-36)50-40(31)52-41;1-19-43-18-20(44-19)5-2-3-14-42-41(53)28-7-4-6-27-32(28)40-51-35-26-13-10-23(65(60,61)62)17-31(26)39(49-35)50-38-30-16-22(64(57,58)59)9-12-25(30)34(48-38)47-37-29-15-21(63(54,55)56)8-11-24(29)33(46-37)45-36(27)52-40;;;;/h4,6-10,12-13,16-18,56-58H,2-3,5,11,14-15,19-21H2,1H3,(H3-,45,46,47,48,49,50,51,52,53,54,55,59);3-4,6-11,13-15,18-20H,1-2,5,12,16-17H2,(H5-,44,45,46,47,48,49,50,51,52,53,54,55,56);1-6,9-10,12-14,17-21,23H,7-8,11,15-16,22H2,(H2-,44,45,46,47,48,49,50,51,52,53);4,6-10,12-13,16-18H,2-3,5,11,14-15H2,1H3,(H10-,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);;;;/q4*-1;4*+2/p-4
• InChIKey: NQSPIVOLTFQEHQ-UHFFFAOYSA-J
• XLogP: 25.93
• TPSA: 858.14 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 46
• Rotatable Bonds: 30
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3444.55
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

The IUPAC name of dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide (CID 159857626) is dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide.

What is the SMILES notation for dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

The canonical SMILES for dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide is Cc1ncc(CCCCNC(=O)c2cccc3c2-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(CO)cc52)-c2cc(CO)ccc2-4)c2c3CC=C(CO)C2)[nH]1.Cc1ncc(CCCCNC(=O)c2cccc3c2-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(S(=O)(=O)O)cc52)-c2cc(S(O)(O)O)ccc2-4)c2c3CC=C(S(O)(O)O)C2)[nH]1.O=C(NCCCCc1cccnc1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S)cc41)-c1cc(S)ccc1-3)c1c2CC=C(S)C1.O=C(NCCCCc1cccnc1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1c2CC=CC1.[Co+2].[Co+2].[Cu+2].[Cu+2].

What is the InChIKey of dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

The InChIKey is NQSPIVOLTFQEHQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C44H38N11O4.C42H31N10OS3.C42H31N10O.C41H36N11O10S3.2Co.2Cu/c1-22-46-18-26(47-22)5-2-3-14-45-44(59)31-7-4-6-30-35(31)43-54-38-29-13-10-25(21-58)17-34(29)42(52-38)53-41-33-16-24(20-57)9-12-28(33)37(51-41)50-40-32-15-23(19-56)8-11-27(32)36(49-40)48-39(30)55-43;53-42(44-16-2-1-5-21-6-4-15-43-20-21)29-8-3-7-28-33(29)41-51-36-27-14-11-24(56)19-32(27)40(49-36)50-39-31-18-23(55)10-13-26(31)35(48-39)47-38-30-17-22(54)9-12-25(30)34(46-38)45-37(28)52-41;53-42(44-22-8-7-11-24-12-10-21-43-23-24)32-20-9-19-31-33(32)41-51-39-30-18-6-5-17-29(30)37(49-39)47-35-26-14-2-1-13-25(26)34(45-35)46-36-27-15-3-4-16-28(27)38(48-36)50-40(31)52-41;1-19-43-18-20(44-19)5-2-3-14-42-41(53)28-7-4-6-27-32(28)40-51-35-26-13-10-23(65(60,61)62)17-31(26)39(49-35)50-38-30-16-22(64(57,58)59)9-12-25(30)34(48-38)47-37-29-15-21(63(54,55)56)8-11-24(29)33(46-37)45-36(27)52-40;;;;/h4,6-10,12-13,16-18,56-58H,2-3,5,11,14-15,19-21H2,1H3,(H3-,45,46,47,48,49,50,51,52,53,54,55,59);3-4,6-11,13-15,18-20H,1-2,5,12,16-17H2,(H5-,44,45,46,47,48,49,50,51,52,53,54,55,56);1-6,9-10,12-14,17-21,23H,7-8,11,15-16,22H2,(H2-,44,45,46,47,48,49,50,51,52,53);4,6-10,12-13,16-18H,2-3,5,11,14-15H2,1H3,(H10-,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);;;;/q4*-1;4*+2/p-4.

What are the key properties of dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide has a molecular weight of 3444.55 g/mol, XLogP of 25.93, 30 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;bis(cobalt(2+));14-[4-(2-methyl-1H-imidazol-5-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;N-(4-pyridin-3-ylbutyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22,24,26,28(38),29,31,33,35-octadecaene-5-carboxamide;N-(4-pyridin-3-ylbutyl)-16,25,33-tris(sulfanyl)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(2-methyl-1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide is sourced from PubChem (CID 159857626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).