dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)

C140H128Cu2N16Na8O32S8 — CID 159000475

About dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)

dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide) (PubChem CID 159000475) has the molecular formula C140H128Cu2N16Na8O32S8 and a molecular weight of 3114.19 g/mol. Its IUPAC name is dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide).

Molecular Properties

• Compound Name: dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)
• PubChem CID: 159000475
• Molecular Formula: C140H128Cu2N16Na8O32S8
• Molecular Weight: 3114.19 g/mol
• Exact Mass: 3110.44
• IUPAC Name: dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)
• SMILES: CCc1cc[c-]c(OC)c1.CCc1cc[c-]c(OC)c1.CCc1ccc(S(=O)(=O)[O-])c(OC)c1.CCc1ccc(S(=O)(=O)[O-])c(OC)c1.COc1[c-]ccc(C(C)C)c1.COc1[c-]ccc(C(C)C)c1.COc1cc(C(C)C)ccc1S(=O)(=O)[O-].COc1cc(C(C)C)ccc1S(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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/2C32H16N8.2C10H14O4S.2C10H13O.2C9H12O4S.2C9H11O.2Cu.8Na.4O3S/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;2*1-7(2)8-4-5-10(15(11,12)13)9(6-8)14-3;2*1-8(2)9-5-4-6-10(7-9)11-3;2*1-3-7-4-5-9(14(10,11)12)8(6-7)13-2;2*1-3-8-5-4-6-9(7-8)10-2;;;;;;;;;;;4*1-4(2)3/h2*1-16H;2*4-7H,1-3H3,(H,11,12,13);2*4-5,7-8H,1-3H3;2*4-6H,3H2,1-2H3,(H,10,11,12);2*4-5,7H,3H2,1-2H3;;;;;;;;;;;;;;/q2*-2;;;2*-1;;;2*-1;2*+2;8*+1;;;;/p-4
• InChIKey: ABFNDHMWNIZYAT-UHFFFAOYSA-J
• XLogP: -0.61
• TPSA: 718.56 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 20
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3114.19
LogP ≤ 5	-0.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)?

The IUPAC name of dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide) (CID 159000475) is dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide).

What is the SMILES notation for dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)?

The canonical SMILES for dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide) is CCc1cc[c-]c(OC)c1.CCc1cc[c-]c(OC)c1.CCc1ccc(S(=O)(=O)[O-])c(OC)c1.CCc1ccc(S(=O)(=O)[O-])c(OC)c1.COc1[c-]ccc(C(C)C)c1.COc1[c-]ccc(C(C)C)c1.COc1cc(C(C)C)ccc1S(=O)(=O)[O-].COc1cc(C(C)C)ccc1S(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)?

The InChIKey is ABFNDHMWNIZYAT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C32H16N8.2C10H14O4S.2C10H13O.2C9H12O4S.2C9H11O.2Cu.8Na.4O3S/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;2*1-7(2)8-4-5-10(15(11,12)13)9(6-8)14-3;2*1-8(2)9-5-4-6-10(7-9)11-3;2*1-3-7-4-5-9(14(10,11)12)8(6-7)13-2;2*1-3-8-5-4-6-9(7-8)10-2;;;;;;;;;;;4*1-4(2)3/h2*1-16H;2*4-7H,1-3H3,(H,11,12,13);2*4-5,7-8H,1-3H3;2*4-6H,3H2,1-2H3,(H,10,11,12);2*4-5,7H,3H2,1-2H3;;;;;;;;;;;;;;/q2*-2;;;2*-1;;;2*-1;2*+2;8*+1;;;;/p-4.

What are the key properties of dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide)?

dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide) has a molecular weight of 3114.19 g/mol, XLogP of -0.61, 20 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;octasodium;bis(1-ethyl-3-methoxybenzene-4-ide);bis(4-ethyl-2-methoxybenzenesulfonate);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);bis(1-methoxy-3-propan-2-ylbenzene-6-ide);bis(2-methoxy-4-propan-2-ylbenzenesulfonate);tetrakis(sulfur trioxide) is sourced from PubChem (CID 159000475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).