tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)

C188H204Cu3N36O24S12 — CID 157482910

About tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)

tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide) (PubChem CID 157482910) has the molecular formula C188H204Cu3N36O24S12 and a molecular weight of 3927.37 g/mol. Its IUPAC name is tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide).

Molecular Properties

• Compound Name: tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)
• PubChem CID: 157482910
• Molecular Formula: C188H204Cu3N36O24S12
• Molecular Weight: 3927.37 g/mol
• Exact Mass: 3922.04
• IUPAC Name: tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)
• SMILES: CCCCN(OOSC)c1ccccc1.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCNOOSC.CCCNS(C)(=O)=O.CCCNS(C)(=O)=O.CCCNS(C)(=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].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.4C8H11NO2S.4C4H11NO2S.3Cu/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;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;3*1-3-4-5-8(2,6)7;1-3-4-5-6-7-8-2;;;/h3*1-16H;4*5-9H,3-4,10H2,1-2H3;4*3-6,9H,1-2H3;4*5H,3-4H2,1-2H3;;;/q3*-2;;;;;;;;;;;;;3*+2
• InChIKey: BWJDMCOVTHWYJE-UHFFFAOYSA-N
• XLogP: 36.18
• TPSA: 788.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 46
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3927.37
LogP ≤ 5	36.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

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 tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)?

The IUPAC name of tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide) (CID 157482910) is tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide).

What is the SMILES notation for tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)?

The canonical SMILES for tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide) is CCCCN(OOSC)c1ccccc1.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCNOOSC.CCCNS(C)(=O)=O.CCCNS(C)(=O)=O.CCCNS(C)(=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].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;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)?

The InChIKey is BWJDMCOVTHWYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H16N8.4C11H17NO2S.4C8H11NO2S.4C4H11NO2S.3Cu/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;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;3*1-3-4-5-8(2,6)7;1-3-4-5-6-7-8-2;;;/h3*1-16H;4*5-9H,3-4,10H2,1-2H3;4*3-6,9H,1-2H3;4*5H,3-4H2,1-2H3;;;/q3*-2;;;;;;;;;;;;;3*+2.

What are the key properties of tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide)?

tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide) has a molecular weight of 3927.37 g/mol, XLogP of 36.18, 46 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tricopper;N-butyl-N-methylsulfanylperoxyaniline;tris(N-butyl-N-phenylmethanesulfonamide);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);4-methyl-N-methylsulfanylperoxyaniline;tris(N-(4-methylphenyl)methanesulfonamide);N-methylsulfanylperoxypropan-1-amine;tris(N-propylmethanesulfonamide) is sourced from PubChem (CID 157482910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).