manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride

C48H56Cl4MnN12 — CID 24978527

IUPACmanganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride
SMILESCCn1cc[n+](CC)c1-c1c2nc(c(-c3n(CC)cc[n+]3CC)c3ccc([n-]3)c(-c3n(CC)cc[n+]3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[n-]4)C=C3)C=C2.[Cl-].[Cl-].[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/C48H56N12.4ClH.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;4*1H;/q+2;;;;;+2/p-4
InChIKeyWFLACWNXPGXTDK-UHFFFAOYSA-J
MW997.81 g/mol
LogP-4.89
Rot. Bonds12

About manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride

manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride (PubChem CID 24978527) has the molecular formula C48H56Cl4MnN12 and a molecular weight of 997.81 g/mol. Its IUPAC name is manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride.

Molecular Properties

Compound Namemanganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride
PubChem CID24978527
Molecular FormulaC48H56Cl4MnN12
Molecular Weight997.81 g/mol
Exact Mass995.29
IUPAC Namemanganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride
SMILESCCn1cc[n+](CC)c1-c1c2nc(c(-c3n(CC)cc[n+]3CC)c3ccc([n-]3)c(-c3n(CC)cc[n+]3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[n-]4)C=C3)C=C2.[Cl-].[Cl-].[Cl-].[Cl-].[Mn+2]
InChIInChI=1S/C48H56N12.4ClH.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;4*1H;/q+2;;;;;+2/p-4
InChIKeyWFLACWNXPGXTDK-UHFFFAOYSA-J
XLogP-4.89
TPSA89.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500997.81
LogP ≤ 5-4.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride?
The IUPAC name of manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride (CID 24978527) is manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride.
What is the SMILES notation for manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride?
The canonical SMILES for manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride is CCn1cc[n+](CC)c1-c1c2nc(c(-c3n(CC)cc[n+]3CC)c3ccc([n-]3)c(-c3n(CC)cc[n+]3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[n-]4)C=C3)C=C2.[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)porphyrin-22,24-diide;tetrachloride?
The InChIKey is WFLACWNXPGXTDK-UHFFFAOYSA-J. The full InChI is InChI=1S/C48H56N12.4ClH.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;4*1H;/q+2;;;;;+2/p-4.
What are the key properties of manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride?
manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride has a molecular weight of 997.81 g/mol, XLogP of -4.89, 12 rotatable bonds, 0 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)porphyrin-22,24-diide;tetrachloride is sourced from PubChem (CID 24978527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).