tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride

C192H254Cl4Cu3N40O36S12 — CID 157121152

About tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride

tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride (PubChem CID 157121152) has the molecular formula C192H254Cl4Cu3N40O36S12 and a molecular weight of 4415.64 g/mol. Its IUPAC name is tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride.

Molecular Properties

• Compound Name: tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride
• PubChem CID: 157121152
• Molecular Formula: C192H254Cl4Cu3N40O36S12
• Molecular Weight: 4415.64 g/mol
• Exact Mass: 4408.26
• IUPAC Name: tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride
• SMILES: CCCCN(OOSC)c1ccccc1.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCOCCNOOSC.CCOCCNS(C)(=O)=O.CCOCCNS(C)(=O)=O.CCOCCNS(C)(=O)=O.CS(=O)(=O)NCCCN(CCO)CCO.CS(=O)(=O)NCCCN(CCO)CCO.CS(=O)(=O)NCCCN(CCO)CCO.CS(=O)(=O)NCCCN(CCO)CCO.Cl.Cl.Cl.Cl.[Cu+2].[Cu+2].[Cu+2].[H][H].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
• InChI: InChI=1S/3C32H16N8.4C11H17NO2S.4C8H20N2O4S.4C5H13NO3S.4ClH.3Cu.H2/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*1-3-4-10-12(15(2,13)14)11-8-6-5-7-9-11;1-3-4-10-12(13-14-15-2)11-8-6-5-7-9-11;4*1-15(13,14)9-3-2-4-10(5-7-11)6-8-12;3*1-3-9-5-4-6-10(2,7)8;1-3-7-5-4-6-8-9-10-2;;;;;;;;/h3*1-16H;4*5-9H,3-4,10H2,1-2H3;4*9,11-12H,2-8H2,1H3;4*6H,3-5H2,1-2H3;4*1H;;;;1H/q3*-2;;;;;;;;;;;;;;;;;3*+2
• InChIKey: AHZIGDRJNQEHQD-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 1015.86 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 62
• Rotatable Bonds: 80
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4415.64
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride?

The IUPAC name of tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride (CID 157121152) is tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride.

What is the SMILES notation for tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride?

The canonical SMILES for tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride is CCCCN(OOSC)c1ccccc1.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCOCCNOOSC.CCOCCNS(C)(=O)=O.CCOCCNS(C)(=O)=O.CCOCCNS(C)(=O)=O.CS(=O)(=O)NCCCN(CCO)CCO.CS(=O)(=O)NCCCN(CCO)CCO.CS(=O)(=O)NCCCN(CCO)CCO.CS(=O)(=O)NCCCN(CCO)CCO.Cl.Cl.Cl.Cl.[Cu+2].[Cu+2].[Cu+2].[H][H].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;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride?

The InChIKey is AHZIGDRJNQEHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H16N8.4C11H17NO2S.4C8H20N2O4S.4C5H13NO3S.4ClH.3Cu.H2/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*1-3-4-10-12(15(2,13)14)11-8-6-5-7-9-11;1-3-4-10-12(13-14-15-2)11-8-6-5-7-9-11;4*1-15(13,14)9-3-2-4-10(5-7-11)6-8-12;3*1-3-9-5-4-6-10(2,7)8;1-3-7-5-4-6-8-9-10-2;;;;;;;;/h3*1-16H;4*5-9H,3-4,10H2,1-2H3;4*9,11-12H,2-8H2,1H3;4*6H,3-5H2,1-2H3;4*1H;;;;1H/q3*-2;;;;;;;;;;;;;;;;;3*+2;.

What are the key properties of tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride?

tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride has a molecular weight of 4415.64 g/mol, XLogP of 22.82, 80 rotatable bonds, 16 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for tricopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);tris(N-(2-ethoxyethyl)methanesulfonamide);2-ethoxy-N-methylsulfanylperoxyethanamine;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);molecular hydrogen;tetrahydrochloride is sourced from PubChem (CID 157121152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).