manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride

C48H58Cl5MnN12+ — CID 135537062

About manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride

manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride (PubChem CID 135537062) has the molecular formula C48H58Cl5MnN12+ and a molecular weight of 1035.28 g/mol. Its IUPAC name is manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride.

Molecular Properties

• Compound Name: manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride
• PubChem CID: 135537062
• Molecular Formula: C48H58Cl5MnN12+
• Molecular Weight: 1035.28 g/mol
• Exact Mass: 1032.27
• IUPAC Name: manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride
• SMILES: CCn1cc[n+](CC)c1-c1c2nc(c(-c3n(CC)cc[n+]3CC)c3ccc([nH]3)c(-c3n(CC)cc[n+]3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+2]
• InChI: InChI=1S/C48H57N12.5ClH.Mn/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;;;/h17-32H,9-16H2,1-8H3,(H,49,50,51,52);5*1H;/q+3;;;;;;+2/p-4/b41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+
• InChIKey: MZWPDRLMLSSKLG-KUNOATHXSA-J
• XLogP: -7.14
• TPSA: 92.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1035.28
LogP ≤ 5	-7.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride?

The IUPAC name of manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride (CID 135537062) is manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride.

What is the SMILES notation for manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride?

The canonical SMILES for manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride is CCn1cc[n+](CC)c1-c1c2nc(c(-c3n(CC)cc[n+]3CC)c3ccc([nH]3)c(-c3n(CC)cc[n+]3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+2].

What is the InChIKey of manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride?

The InChIKey is MZWPDRLMLSSKLG-KUNOATHXSA-J. The full InChI is InChI=1S/C48H57N12.5ClH.Mn/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;;;/h17-32H,9-16H2,1-8H3,(H,49,50,51,52);5*1H;/q+3;;;;;;+2/p-4/b41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;;;;;;.

What are the key properties of manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride?

manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride has a molecular weight of 1035.28 g/mol, XLogP of -7.14, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride is sourced from PubChem (CID 135537062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).