5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)

C42H32F2MnN8+2 — CID 59049286

IUPAC5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)
SMILESCn1cc[n+](C)c1-c1c2nc(c(-c3ccc(F)cc3)c3ccc([n-]3)c(-c3n(C)cc[n+]3C)c3nc(c(-c4ccc(F)cc4)c4ccc1[n-]4)C=C3)C=C2.[Mn+2]
InChIInChI=1S/C42H32F2N8.Mn/c1-49-21-22-50(2)41(49)39-33-17-13-29(45-33)37(25-5-9-27(43)10-6-25)31-15-19-35(47-31)40(42-51(3)23-24-52(42)4)36-20-16-32(48-36)38(30-14-18-34(39)46-30)26-7-11-28(44)12-8-26;/h5-24H,1-4H3;/q;+2/b37-29-;
InChIKeyJYOONFBZONEQKI-SLSNRTAJSA-N
MW741.71 g/mol
LogP7.18
Rot. Bonds4

About 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)

5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+) (PubChem CID 59049286) has the molecular formula C42H32F2MnN8+2 and a molecular weight of 741.71 g/mol. Its IUPAC name is 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+).

Molecular Properties

Compound Name5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)
PubChem CID59049286
Molecular FormulaC42H32F2MnN8+2
Molecular Weight741.71 g/mol
Exact Mass741.21
IUPAC Name5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)
SMILESCn1cc[n+](C)c1-c1c2nc(c(-c3ccc(F)cc3)c3ccc([n-]3)c(-c3n(C)cc[n+]3C)c3nc(c(-c4ccc(F)cc4)c4ccc1[n-]4)C=C3)C=C2.[Mn+2]
InChIInChI=1S/C42H32F2N8.Mn/c1-49-21-22-50(2)41(49)39-33-17-13-29(45-33)37(25-5-9-27(43)10-6-25)31-15-19-35(47-31)40(42-51(3)23-24-52(42)4)36-20-16-32(48-36)38(30-14-18-34(39)46-30)26-7-11-28(44)12-8-26;/h5-24H,1-4H3;/q;+2/b37-29-;
InChIKeyJYOONFBZONEQKI-SLSNRTAJSA-N
XLogP7.18
TPSA71.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.71
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-diphenyl-21,23-dihydroporphyrin
CID 135926486
copper;5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;diiodide
CID 11479903
manganese(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide
CID 59992177
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
cobalt(3+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;dicyanide
CID 172907742
manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 636232
manganese(3+);5,10,15,20-tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)porphyrin-22,24-diide
CID 140518785
chlorocobalt(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 155720992
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187
copper 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073185
copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
CID 154728535

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)?
The IUPAC name of 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+) (CID 59049286) is 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+).
What is the SMILES notation for 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)?
The canonical SMILES for 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+) is Cn1cc[n+](C)c1-c1c2nc(c(-c3ccc(F)cc3)c3ccc([n-]3)c(-c3n(C)cc[n+]3C)c3nc(c(-c4ccc(F)cc4)c4ccc1[n-]4)C=C3)C=C2.[Mn+2].
What is the InChIKey of 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)?
The InChIKey is JYOONFBZONEQKI-SLSNRTAJSA-N. The full InChI is InChI=1S/C42H32F2N8.Mn/c1-49-21-22-50(2)41(49)39-33-17-13-29(45-33)37(25-5-9-27(43)10-6-25)31-15-19-35(47-31)40(42-51(3)23-24-52(42)4)36-20-16-32(48-36)38(30-14-18-34(39)46-30)26-7-11-28(44)12-8-26;/h5-24H,1-4H3;/q;+2/b37-29-;.
What are the key properties of 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+)?
5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+) has a molecular weight of 741.71 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-bis(4-fluorophenyl)porphyrin-22,24-diide;manganese(2+) is sourced from PubChem (CID 59049286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).