dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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

C140H186Cl4Cu2N28O24S8 — CID 159167105

About dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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

dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 159167105) has the molecular formula C140H186Cl4Cu2N28O24S8 and a molecular weight of 3170.64 g/mol. Its IUPAC name is dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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: dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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: 159167105
• Molecular Formula: C140H186Cl4Cu2N28O24S8
• Molecular Weight: 3170.64 g/mol
• Exact Mass: 3164.93
• IUPAC Name: dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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.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].[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
• InChI: InChI=1S/2C32H16N8.4C11H17NO2S.4C8H20N2O4S.4ClH.2Cu.H2/c2*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;;;;;;;/h2*1-16H;4*5-9H,3-4,10H2,1-2H3;4*9,11-12H,2-8H2,1H3;4*1H;;;1H/q2*-2;;;;;;;;;;;;;2*+2
• InChIKey: KLFCTRMZUFNTIE-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 704.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 58
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3170.64
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 159167105) is dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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.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].[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.

What is the InChIKey of dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 KLFCTRMZUFNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H16N8.4C11H17NO2S.4C8H20N2O4S.4ClH.2Cu.H2/c2*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;;;;;;;/h2*1-16H;4*5-9H,3-4,10H2,1-2H3;4*9,11-12H,2-8H2,1H3;4*1H;;;1H/q2*-2;;;;;;;;;;;;;2*+2;.

What are the key properties of dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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?

dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 3170.64 g/mol, XLogP of 17.22, 58 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;tetrakis(N-[3-[bis(2-hydroxyethyl)amino]propyl]methanesulfonamide);N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);bis(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 159167105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).