tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid

C141H100Cu4N42O86S33 — CID 157149659

About tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid

tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid (PubChem CID 157149659) has the molecular formula C141H100Cu4N42O86S33 and a molecular weight of 5070.95 g/mol. Its IUPAC name is tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid.

Molecular Properties

• Compound Name: tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid
• PubChem CID: 157149659
• Molecular Formula: C141H100Cu4N42O86S33
• Molecular Weight: 5070.95 g/mol
• Exact Mass: 5063.27
• IUPAC Name: tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid
• SMILES: CS(=O)(=O)c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1S(=O)(=O)NCCS(=O)(=O)O)-c1cc(S(=O)(=O)NCCS(=O)(=O)O)ccc1-6)c1cc(S(=O)(=O)O)c(S(N)(=O)=O)cc51)-c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1-4.CS(=O)(=O)c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1S(=O)(=O)NCCS(=O)(=O)O)-c1cc(S(N)(=O)=O)ccc1-6)c1cc(S(=O)(=O)O)c(S(N)(=O)=O)cc51)-c1cc(S(=O)(=O)NCCS(=O)(=O)O)c(S(N)(=O)=O)cc1-4.CS(=O)(=O)c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1S(=O)(=O)O)-c1cc(S(=O)(=O)NCCS(=O)(=O)O)ccc1-6)c1cc(S(=O)(=O)O)c(S(N)(=O)=O)cc51)-c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1-4.O=S(=O)(O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc41)-c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1-3)c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc21.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
• InChI: InChI=1S/C37H31N13O21S9.C37H29N11O23S9.C35H24N10O21S8.C32H16N8O21S7.4Cu/c1-72(51,52)24-9-18-21(12-27(24)78(65,66)41-4-6-73(53,54)55)35-45-31-17-8-15(75(38,59)60)2-3-16(17)30(43-31)44-37-23-14-29(80(69,70)71)26(77(40,63)64)11-20(23)34(50-37)49-36-22-13-28(79(67,68)42-5-7-74(56,57)58)25(76(39,61)62)10-19(22)33(48-36)46-32(18)47-35;1-72(49,50)24-9-18-20(11-26(24)77(61,62)40-5-7-74(54,55)56)34-43-31-17-8-15(76(59,60)39-4-6-73(51,52)53)2-3-16(17)30(41-31)42-35-21-12-27(78(63,64)65)25(75(38,57)58)10-19(21)33(46-35)47-37-23-14-29(80(69,70)71)28(79(66,67)68)13-22(23)36(48-37)45-32(18)44-34;1-67(46,47)22-7-16-18(9-24(22)71(55,56)57)33-40-29-15-6-13(70(53,54)37-4-5-68(48,49)50)2-3-14(15)28(38-29)39-32-19-10-25(72(58,59)60)23(69(36,51)52)8-17(19)31(43-32)44-35-21-12-27(74(64,65)66)26(73(61,62)63)11-20(21)34(45-35)42-30(16)41-33;41-62(42,43)10-1-2-11-12(3-10)26-33-25(11)34-27-13-4-19(63(44,45)46)20(64(47,48)49)5-14(13)29(36-27)38-31-17-8-23(67(56,57)58)24(68(59,60)61)9-18(17)32(40-31)39-30-16-7-22(66(53,54)55)21(65(50,51)52)6-15(16)28(35-26)37-30;;;;/h2-3,8-14,41-42H,4-7H2,1H3,(H9-2,38,39,40,43,44,45,46,47,48,49,50,53,54,55,56,57,58,59,60,61,62,63,64,69,70,71);2-3,8-14,39-40H,4-7H2,1H3,(H7-2,38,41,42,43,44,45,46,47,48,51,52,53,54,55,56,57,58,63,64,65,66,67,68,69,70,71);2-3,6-12,37H,4-5H2,1H3,(H7-2,36,38,39,40,41,42,43,44,45,48,49,50,51,52,55,56,57,58,59,60,61,62,63,64,65,66);1-9H,(H7-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);;;;/q4*-2;4*+2
• InChIKey: ALCMUHSSAITQFG-UHFFFAOYSA-N
• XLogP: -4.52
• TPSA: 2143.63 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 90
• Rotatable Bonds: 48
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5070.95
LogP ≤ 5	-4.52
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	90

Frequently Asked Questions

What is the IUPAC name of tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid?

The IUPAC name of tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid (CID 157149659) is tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid.

What is the SMILES notation for tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid?

The canonical SMILES for tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid is CS(=O)(=O)c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1S(=O)(=O)NCCS(=O)(=O)O)-c1cc(S(=O)(=O)NCCS(=O)(=O)O)ccc1-6)c1cc(S(=O)(=O)O)c(S(N)(=O)=O)cc51)-c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1-4.CS(=O)(=O)c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1S(=O)(=O)NCCS(=O)(=O)O)-c1cc(S(N)(=O)=O)ccc1-6)c1cc(S(=O)(=O)O)c(S(N)(=O)=O)cc51)-c1cc(S(=O)(=O)NCCS(=O)(=O)O)c(S(N)(=O)=O)cc1-4.CS(=O)(=O)c1cc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2cc1S(=O)(=O)O)-c1cc(S(=O)(=O)NCCS(=O)(=O)O)ccc1-6)c1cc(S(=O)(=O)O)c(S(N)(=O)=O)cc51)-c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1-4.O=S(=O)(O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc41)-c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1-3)c1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc21.[Cu+2].[Cu+2].[Cu+2].[Cu+2].

What is the InChIKey of tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid?

The InChIKey is ALCMUHSSAITQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N13O21S9.C37H29N11O23S9.C35H24N10O21S8.C32H16N8O21S7.4Cu/c1-72(51,52)24-9-18-21(12-27(24)78(65,66)41-4-6-73(53,54)55)35-45-31-17-8-15(75(38,59)60)2-3-16(17)30(43-31)44-37-23-14-29(80(69,70)71)26(77(40,63)64)11-20(23)34(50-37)49-36-22-13-28(79(67,68)42-5-7-74(56,57)58)25(76(39,61)62)10-19(22)33(48-36)46-32(18)47-35;1-72(49,50)24-9-18-20(11-26(24)77(61,62)40-5-7-74(54,55)56)34-43-31-17-8-15(76(59,60)39-4-6-73(51,52)53)2-3-16(17)30(41-31)42-35-21-12-27(78(63,64)65)25(75(38,57)58)10-19(21)33(46-35)47-37-23-14-29(80(69,70)71)28(79(66,67)68)13-22(23)36(48-37)45-32(18)44-34;1-67(46,47)22-7-16-18(9-24(22)71(55,56)57)33-40-29-15-6-13(70(53,54)37-4-5-68(48,49)50)2-3-14(15)28(38-29)39-32-19-10-25(72(58,59)60)23(69(36,51)52)8-17(19)31(43-32)44-35-21-12-27(74(64,65)66)26(73(61,62)63)11-20(21)34(45-35)42-30(16)41-33;41-62(42,43)10-1-2-11-12(3-10)26-33-25(11)34-27-13-4-19(63(44,45)46)20(64(47,48)49)5-14(13)29(36-27)38-31-17-8-23(67(56,57)58)24(68(59,60)61)9-18(17)32(40-31)39-30-16-7-22(66(53,54)55)21(65(50,51)52)6-15(16)28(35-26)37-30;;;;/h2-3,8-14,41-42H,4-7H2,1H3,(H9-2,38,39,40,43,44,45,46,47,48,49,50,53,54,55,56,57,58,59,60,61,62,63,64,69,70,71);2-3,8-14,39-40H,4-7H2,1H3,(H7-2,38,41,42,43,44,45,46,47,48,51,52,53,54,55,56,57,58,63,64,65,66,67,68,69,70,71);2-3,6-12,37H,4-5H2,1H3,(H7-2,36,38,39,40,41,42,43,44,45,48,49,50,51,52,55,56,57,58,59,60,61,62,63,64,65,66);1-9H,(H7-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);;;;/q4*-2;4*+2.

What are the key properties of tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid?

tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid has a molecular weight of 5070.95 g/mol, XLogP of -4.52, 48 rotatable bonds, 30 hydrogen bond donors, and 90 hydrogen bond acceptors.

Where does this data come from?

All data for tetracopper;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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,7,15,16,24,25,33-heptasulfonic acid;34-methylsulfonyl-15-sulfamoyl-25,33-bis(2-sulfoethylsulfamoyl)-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),4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,7,16-trisulfonic acid;15-methylsulfonyl-34-sulfamoyl-24-(2-sulfoethylsulfamoyl)-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,7,16,33-tetrasulfonic acid;24-methylsulfonyl-7,16,33-trisulfamoyl-15,25-bis(2-sulfoethylsulfamoyl)-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(36),32,34-nonadecaene-6-sulfonic acid is sourced from PubChem (CID 157149659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).