azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid

C32H23CuN12O9S4 — CID 71300792

About azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid

azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid (PubChem CID 71300792) has the molecular formula C32H23CuN12O9S4 and a molecular weight of 911.42 g/mol. Its IUPAC name is azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid.

Molecular Properties

• Compound Name: azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid
• PubChem CID: 71300792
• Molecular Formula: C32H23CuN12O9S4
• Molecular Weight: 911.42 g/mol
• Exact Mass: 909.99
• IUPAC Name: azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid
• SMILES: NS(=O)(=O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S(N)(=O)=O)cc41)-c1ccc(S(=O)(=O)O)cc1-3)c1ccc(S(N)(=O)=O)cc21.[Cu+].[NH4+]
• InChI: InChI=1S/C32H19N11O9S4.Cu.H3N/c33-53(44,45)13-1-5-17-21(9-13)29-36-25(17)38-30-23-11-15(55(35,48)49)3-7-19(23)27(40-30)42-32-24-12-16(56(50,51)52)4-8-20(24)28(43-32)41-31-22-10-14(54(34,46)47)2-6-18(22)26(37-29)39-31;;/h1-12H,(H7-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;1H3/q-2;+1;/p+1
• InChIKey: QLNGWONDIDBVHE-UHFFFAOYSA-O
• XLogP: 1.69
• TPSA: 376.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.42
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid?

The IUPAC name of azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid (CID 71300792) is azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid.

What is the SMILES notation for azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid?

The canonical SMILES for azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid is NS(=O)(=O)c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S(N)(=O)=O)cc41)-c1ccc(S(=O)(=O)O)cc1-3)c1ccc(S(N)(=O)=O)cc21.[Cu+].[NH4+].

What is the InChIKey of azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid?

The InChIKey is QLNGWONDIDBVHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H19N11O9S4.Cu.H3N/c33-53(44,45)13-1-5-17-21(9-13)29-36-25(17)38-30-23-11-15(55(35,48)49)3-7-19(23)27(40-30)42-32-24-12-16(56(50,51)52)4-8-20(24)28(43-32)41-31-22-10-14(54(34,46)47)2-6-18(22)26(37-29)39-31;;/h1-12H,(H7-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;1H3/q-2;+1;/p+1.

What are the key properties of azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid?

azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid has a molecular weight of 911.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for azanium;copper(1+);15,24,33-trisulfamoyl-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6-sulfonic acid is sourced from PubChem (CID 71300792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).