Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide

C₃₃H₂₈I₃MnN₁₂+3 — CID 159457930

About Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide

Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide (PubChem CID 159457930) has the molecular formula C₃₃H₂₈I₃MnN₁₂+3 and a molecular weight of 1028.32 g/mol. Its IUPAC name is manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide.

Molecular Properties

• Compound Name: Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide
• PubChem CID: 159457930
• Molecular Formula: C₃₃H₂₈I₃MnN₁₂+3
• Molecular Weight: 1028.32 g/mol
• Exact Mass: 1027.91
• IUPAC Name: manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide
• SMILES: C.C[n+]1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc[n+](C)c41)-c1ccc[n+](C)c1-3)c1ccc[n+](C)c21.I[I-]I.[Mn+2]
• InChI: InChI=1S/C32H24N12.CH4.I3.Mn/c1-41-13-5-9-17-21(41)29-33-25(17)38-30-23-19(11-7-15-43(23)3)27(35-30)40-32-24-20(12-8-16-44(24)4)28(36-32)39-31-22-18(26(34-31)37-29)10-6-14-42(22)2;;1-3-2;/h5-16H,1-4H3;1H4;;/q+2;;-1;+2
• InChIKey: VDABAHZZIQABLI-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 121.06 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1028.32
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide?

The IUPAC name of Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide (CID 159457930) is manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide.

What is the SMILES notation for Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide?

The canonical SMILES for Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide is C.C[n+]1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc[n+](C)c41)-c1ccc[n+](C)c1-3)c1ccc[n+](C)c21.I[I-]I.[Mn+2].

What is the InChIKey of Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide?

The InChIKey is VDABAHZZIQABLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N12.CH4.I3.Mn/c1-41-13-5-9-17-21(41)29-33-25(17)38-30-23-19(11-7-15-43(23)3)27(35-30)40-32-24-20(12-8-16-44(24)4)28(36-32)39-31-22-18(26(34-31)37-29)10-6-14-42(22)2;;1-3-2;/h5-16H,1-4H3;1H4;;/q+2;;-1;+2.

What are the key properties of Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide?

Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide has a molecular weight of 1028.32 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Manganese(2+);methane;5,14,23,32-tetramethyl-2,11,20,29,37,39-hexaza-5,14,23,32-tetrazonia-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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene;triiodide is sourced from PubChem (CID 159457930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159457930 — identifiers, structure, computed properties (public domain)

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