tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide

C159H147Cu3IK3N34Na4O41S17- — CID 158391551

IUPACtricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide
SMILESCS(=O)(=O)NCCS(=O)(=O)[O-].CS(=O)(=O)NCCS(=O)(=O)[O-].CS(=O)(=O)NCCSOO[O-].CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(SOO[O-])c1.CS(=O)(=O)[O-].CSOONc1ccc(C)cc1.Cc1ccc(NS(C)(=O)=O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.[Cu+2].[Cu+2].[Cu+2].[H][H].[H][H].[I-].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIInChI=1S/3C32H16N8.4C8H11NO2S.3C7H9NO5S2.3C3H9NO5S2.CH4O3S.3Cu.HI.3K.4Na.2H2/c3*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;3*1-7-3-5-8(6-4-7)9-12(2,10)11;1-7-3-5-8(6-4-7)9-10-11-12-2;2*1-14(9,10)8-6-3-2-4-7(5-6)15(11,12)13;1-15(10,11)8-6-3-2-4-7(5-6)14-13-12-9;2*1-10(5,6)4-2-3-11(7,8)9;1-11(6,7)4-2-3-10-9-8-5;1-5(2,3)4;;;;;;;;;;;;;/h3*1-16H;4*3-6,9H,1-2H3;2*2-5,8H,1H3,(H,11,12,13);2-5,8-9H,1H3;2*4H,2-3H2,1H3,(H,7,8,9);4-5H,2-3H2,1H3;1H3,(H,2,3,4);;;;1H;;;;;;;;2*1H/q3*-2;;;;;;;;;;;;3*+2;;7*+1;;/p-8
InChIKeyGXAGROSYRRGCAN-UHFFFAOYSA-F
MW4262.06 g/mol
LogP-4.51
Rot. Bonds35

About tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide

tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide (PubChem CID 158391551) has the molecular formula C159H147Cu3IK3N34Na4O41S17- and a molecular weight of 4262.06 g/mol. Its IUPAC name is tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide.

Molecular Properties

Compound Nametricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide
PubChem CID158391551
Molecular FormulaC159H147Cu3IK3N34Na4O41S17-
Molecular Weight4262.06 g/mol
Exact Mass4256.12
IUPAC Nametricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide
SMILESCS(=O)(=O)NCCS(=O)(=O)[O-].CS(=O)(=O)NCCS(=O)(=O)[O-].CS(=O)(=O)NCCSOO[O-].CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(SOO[O-])c1.CS(=O)(=O)[O-].CSOONc1ccc(C)cc1.Cc1ccc(NS(C)(=O)=O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.[Cu+2].[Cu+2].[Cu+2].[H][H].[H][H].[I-].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIInChI=1S/3C32H16N8.4C8H11NO2S.3C7H9NO5S2.3C3H9NO5S2.CH4O3S.3Cu.HI.3K.4Na.2H2/c3*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;3*1-7-3-5-8(6-4-7)9-12(2,10)11;1-7-3-5-8(6-4-7)9-10-11-12-2;2*1-14(9,10)8-6-3-2-4-7(5-6)15(11,12)13;1-15(10,11)8-6-3-2-4-7(5-6)14-13-12-9;2*1-10(5,6)4-2-3-11(7,8)9;1-11(6,7)4-2-3-10-9-8-5;1-5(2,3)4;;;;;;;;;;;;;/h3*1-16H;4*3-6,9H,1-2H3;2*2-5,8H,1H3,(H,11,12,13);2-5,8-9H,1H3;2*4H,2-3H2,1H3,(H,7,8,9);4-5H,2-3H2,1H3;1H3,(H,2,3,4);;;;1H;;;;;;;;2*1H/q3*-2;;;;;;;;;;;;3*+2;;7*+1;;/p-8
InChIKeyGXAGROSYRRGCAN-UHFFFAOYSA-F
XLogP-4.51
TPSA1131.68 Ų
H-Bond Donors10
H-Bond Acceptors63
Rotatable Bonds35
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004262.06
LogP ≤ 5-4.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1063

Analyze tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide?
The IUPAC name of tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide (CID 158391551) is tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide.
What is the SMILES notation for tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide?
The canonical SMILES for tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide is CS(=O)(=O)NCCS(=O)(=O)[O-].CS(=O)(=O)NCCS(=O)(=O)[O-].CS(=O)(=O)NCCSOO[O-].CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1.CS(=O)(=O)Nc1cccc(SOO[O-])c1.CS(=O)(=O)[O-].CSOONc1ccc(C)cc1.Cc1ccc(NS(C)(=O)=O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.Cc1ccc(NS(C)(=O)=O)cc1.[Cu+2].[Cu+2].[Cu+2].[H][H].[H][H].[I-].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.
What is the InChIKey of tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide?
The InChIKey is GXAGROSYRRGCAN-UHFFFAOYSA-F. The full InChI is InChI=1S/3C32H16N8.4C8H11NO2S.3C7H9NO5S2.3C3H9NO5S2.CH4O3S.3Cu.HI.3K.4Na.2H2/c3*1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;3*1-7-3-5-8(6-4-7)9-12(2,10)11;1-7-3-5-8(6-4-7)9-10-11-12-2;2*1-14(9,10)8-6-3-2-4-7(5-6)15(11,12)13;1-15(10,11)8-6-3-2-4-7(5-6)14-13-12-9;2*1-10(5,6)4-2-3-11(7,8)9;1-11(6,7)4-2-3-10-9-8-5;1-5(2,3)4;;;;;;;;;;;;;/h3*1-16H;4*3-6,9H,1-2H3;2*2-5,8H,1H3,(H,11,12,13);2-5,8-9H,1H3;2*4H,2-3H2,1H3,(H,7,8,9);4-5H,2-3H2,1H3;1H3,(H,2,3,4);;;;1H;;;;;;;;2*1H/q3*-2;;;;;;;;;;;;3*+2;;7*+1;;/p-8.
What are the key properties of tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide?
tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide has a molecular weight of 4262.06 g/mol, XLogP of -4.51, 35 rotatable bonds, 10 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tripotassium;tetrasodium;tris(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),31,33,35-nonadecaene);bis(3-(methanesulfonamido)benzenesulfonate);bis(2-(methanesulfonamido)ethanesulfonate);methanesulfonate;4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);molecular hydrogen;N-(2-oxidoperoxysulfanylethyl)methanesulfonamide;N-(3-oxidoperoxysulfanylphenyl)methanesulfonamide;iodide is sourced from PubChem (CID 158391551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).