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

C48H34F12MnN8+6 — CID 135873916

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

manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin (PubChem CID 135873916) has the molecular formula C48H34F12MnN8+6 and a molecular weight of 1005.77 g/mol. Its IUPAC name is manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin.

Molecular Properties

• Compound Name: manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin
• PubChem CID: 135873916
• Molecular Formula: C48H34F12MnN8+6
• Molecular Weight: 1005.77 g/mol
• Exact Mass: 1005.21
• IUPAC Name: manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin
• SMILES: FC(F)(F)C[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CC(F)(F)F)c3ccc([nH]3)c(-c3cccc[n+]3CC(F)(F)F)c3nc(c(-c4cccc[n+]4CC(F)(F)F)c4ccc1[nH]4)C=C3)C=C2.[Mn+2]
• InChI: InChI=1S/C48H33F12N8.Mn/c49-45(50,51)25-65-21-5-1-9-37(65)41-29-13-15-31(61-29)42(38-10-2-6-22-66(38)26-46(52,53)54)33-17-19-35(63-33)44(40-12-4-8-24-68(40)28-48(58,59)60)36-20-18-34(64-36)43(32-16-14-30(41)62-32)39-11-3-7-23-67(39)27-47(55,56)57;/h1-24H,25-28H2,(H,61,62,63,64);/q+3;+2/p+1/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+
• InChIKey: VEPZWWCHGKEKID-AQZHRKEBSA-O
• XLogP: 10.72
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.77
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin (CID 135873916) is manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin.

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

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

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

The InChIKey is VEPZWWCHGKEKID-AQZHRKEBSA-O. The full InChI is InChI=1S/C48H33F12N8.Mn/c49-45(50,51)25-65-21-5-1-9-37(65)41-29-13-15-31(61-29)42(38-10-2-6-22-66(38)26-46(52,53)54)33-17-19-35(63-33)44(40-12-4-8-24-68(40)28-48(58,59)60)36-20-18-34(64-36)43(32-16-14-30(41)62-32)39-11-3-7-23-67(39)27-47(55,56)57;/h1-24H,25-28H2,(H,61,62,63,64);/q+3;+2/p+1/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;.

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

manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin has a molecular weight of 1005.77 g/mol, XLogP of 10.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for manganese(2+);5,10,15,20-tetrakis[1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135873916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).