manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin

C68H86MnN8O12+7 — CID 135453182

About manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin

manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin (PubChem CID 135453182) has the molecular formula C68H86MnN8O12+7 and a molecular weight of 1262.42 g/mol. Its IUPAC name is manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin
• PubChem CID: 135453182
• Molecular Formula: C68H86MnN8O12+7
• Molecular Weight: 1262.42 g/mol
• Exact Mass: 1261.57
• IUPAC Name: manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin
• SMILES: COCCOCCOCC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CCOCCOCCOC)c3ccc([nH]3)c(-c3cccc[n+]3CCOCCOCCOC)c3nc(c(-c4cccc[n+]4CCOCCOCCOC)c4ccc1[nH]4)C=C3)C=C2.[Mn+3]
• InChI: InChI=1S/C68H85N8O12.Mn/c1-77-37-41-85-49-45-81-33-29-73-25-9-5-13-61(73)65-53-17-19-55(69-53)66(62-14-6-10-26-74(62)30-34-82-46-50-86-42-38-78-2)57-21-23-59(71-57)68(64-16-8-12-28-76(64)32-36-84-48-52-88-44-40-80-4)60-24-22-58(72-60)67(56-20-18-54(65)70-56)63-15-7-11-27-75(63)31-35-83-47-51-87-43-39-79-3;/h5-28H,29-52H2,1-4H3,(H,69,70,71,72);/q2*+3/p+1/b65-53+,65-54+,66-55+,66-57+,67-56+,67-58+,68-59+,68-60+
• InChIKey: HWDJEXRFCFAONY-ASJPBCGFSA-O
• XLogP: 7.19
• TPSA: 183.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 40
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.42
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin?

The IUPAC name of manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin (CID 135453182) is manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin.

What is the SMILES notation for manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin?

The canonical SMILES for manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin is COCCOCCOCC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CCOCCOCCOC)c3ccc([nH]3)c(-c3cccc[n+]3CCOCCOCCOC)c3nc(c(-c4cccc[n+]4CCOCCOCCOC)c4ccc1[nH]4)C=C3)C=C2.[Mn+3].

What is the InChIKey of manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin?

The InChIKey is HWDJEXRFCFAONY-ASJPBCGFSA-O. The full InChI is InChI=1S/C68H85N8O12.Mn/c1-77-37-41-85-49-45-81-33-29-73-25-9-5-13-61(73)65-53-17-19-55(69-53)66(62-14-6-10-26-74(62)30-34-82-46-50-86-42-38-78-2)57-21-23-59(71-57)68(64-16-8-12-28-76(64)32-36-84-48-52-88-44-40-80-4)60-24-22-58(72-60)67(56-20-18-54(65)70-56)63-15-7-11-27-75(63)31-35-83-47-51-87-43-39-79-3;/h5-28H,29-52H2,1-4H3,(H,69,70,71,72);/q2*+3/p+1/b65-53+,65-54+,66-55+,66-57+,67-56+,67-58+,68-59+,68-60+;.

What are the key properties of manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin?

manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin has a molecular weight of 1262.42 g/mol, XLogP of 7.19, 40 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for manganese(3+);5,10,15,20-tetrakis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-2-yl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135453182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).