tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)

C190H206Cu3N34O20S10 — CID 158578337

About tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)

tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide) (PubChem CID 158578337) has the molecular formula C190H206Cu3N34O20S10 and a molecular weight of 3797.26 g/mol. Its IUPAC name is tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide).

Molecular Properties

• Compound Name: tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)
• PubChem CID: 158578337
• Molecular Formula: C190H206Cu3N34O20S10
• Molecular Weight: 3797.26 g/mol
• Exact Mass: 3792.12
• IUPAC Name: tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)
• SMILES: CCCCC.CCCCC(C)c1ccccc1.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.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.C12H18.3C11H17NO2S.4C8H11NO2S.C5H12.3C4H11NO2S.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;1-3-4-8-11(2)12-9-6-5-7-10-12;3*1-3-4-10-12(15(2,13)14)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;1-3-5-4-2;3*1-3-4-5-8(2,6)7;;;/h3*1-16H;5-7,9-11H,3-4,8H2,1-2H3;3*5-9H,3-4,10H2,1-2H3;4*3-6,9H,1-2H3;3-5H2,1-2H3;3*5H,3-4H2,1-2H3;;;/q3*-2;;;;;;;;;;;;;3*+2
• InChIKey: HSYBOAVCKDGDED-UHFFFAOYSA-N
• XLogP: 37.79
• TPSA: 736.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3797.26
LogP ≤ 5	37.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

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;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)?

The IUPAC name of tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide) (CID 158578337) is tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide).

What is the SMILES notation for tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)?

The canonical SMILES for tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide) is CCCCC.CCCCC(C)c1ccccc1.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.CCCCN(c1ccccc1)S(C)(=O)=O.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;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)?

The InChIKey is HSYBOAVCKDGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H16N8.C12H18.3C11H17NO2S.4C8H11NO2S.C5H12.3C4H11NO2S.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;1-3-4-8-11(2)12-9-6-5-7-10-12;3*1-3-4-10-12(15(2,13)14)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;1-3-5-4-2;3*1-3-4-5-8(2,6)7;;;/h3*1-16H;5-7,9-11H,3-4,8H2,1-2H3;3*5-9H,3-4,10H2,1-2H3;4*3-6,9H,1-2H3;3-5H2,1-2H3;3*5H,3-4H2,1-2H3;;;/q3*-2;;;;;;;;;;;;;3*+2.

What are the key properties of tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide)?

tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide) has a molecular weight of 3797.26 g/mol, XLogP of 37.79, 40 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tricopper;tris(N-butyl-N-phenylmethanesulfonamide);hexan-2-ylbenzene;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);pentane;tris(N-propylmethanesulfonamide) is sourced from PubChem (CID 158578337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).