dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)

C120H104Cu2N32O24S8 — CID 159852507

About dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)

dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide) (PubChem CID 159852507) has the molecular formula C120H104Cu2N32O24S8 and a molecular weight of 2761.98 g/mol. Its IUPAC name is dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide).

Molecular Properties

• Compound Name: dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)
• PubChem CID: 159852507
• Molecular Formula: C120H104Cu2N32O24S8
• Molecular Weight: 2761.98 g/mol
• Exact Mass: 2758.43
• IUPAC Name: dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)
• SMILES: CS(=O)(=O)Nc1cccc(N)c1.CS(=O)(=O)Nc1cccc(N)c1.CS(=O)(=O)Nc1cccc(N)c1.CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.CSOONc1cccc(N)c1.CSOONc1cccc([N+](=O)[O-])c1.[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
• InChI: InChI=1S/2C32H16N8.4C7H8N2O4S.4C7H10N2O2S.2Cu/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*1-14(12,13)8-6-3-2-4-7(5-6)9(10)11;1-14-13-12-8-6-3-2-4-7(5-6)9(10)11;3*1-12(10,11)9-7-4-2-3-6(8)5-7;1-12-11-10-9-7-4-2-3-6(8)5-7;;/h2*1-16H;4*2-5,8H,1H3;4*2-5,9H,8H2,1H3;;/q2*-2;;;;;;;;;2*+2
• InChIKey: NQCRFENECYFHGJ-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 825.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2761.98
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)?

The IUPAC name of dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide) (CID 159852507) is dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide).

What is the SMILES notation for dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)?

The canonical SMILES for dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide) is CS(=O)(=O)Nc1cccc(N)c1.CS(=O)(=O)Nc1cccc(N)c1.CS(=O)(=O)Nc1cccc(N)c1.CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1.CSOONc1cccc(N)c1.CSOONc1cccc([N+](=O)[O-])c1.[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.

What is the InChIKey of dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)?

The InChIKey is NQCRFENECYFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H16N8.4C7H8N2O4S.4C7H10N2O2S.2Cu/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*1-14(12,13)8-6-3-2-4-7(5-6)9(10)11;1-14-13-12-8-6-3-2-4-7(5-6)9(10)11;3*1-12(10,11)9-7-4-2-3-6(8)5-7;1-12-11-10-9-7-4-2-3-6(8)5-7;;/h2*1-16H;4*2-5,8H,1H3;4*2-5,9H,8H2,1H3;;/q2*-2;;;;;;;;;2*+2.

What are the key properties of dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide)?

dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide) has a molecular weight of 2761.98 g/mol, XLogP of 21.04, 24 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;tris(N-(3-aminophenyl)methanesulfonamide);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);3-N-methylsulfanylperoxybenzene-1,3-diamine;N-methylsulfanylperoxy-3-nitroaniline;tris(N-(3-nitrophenyl)methanesulfonamide) is sourced from PubChem (CID 159852507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).