5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride

C147H176Cl5MnN39O-3 — CID 161457503

IUPAC5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride
SMILESC.CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([n-]3)c(C3N(CC)C=CN3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[n-]4)C=C3)C=C2.CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([nH]3)c(C3N(CC)C=CN3CC)c3nc(c(C4N(CC)C=CN4CC)c4ccc1[nH]4)C=C3)C=C2.CCn1ccnc1-c1c2nc(c(-c3nccn3CC)c3ccc([nH]3)c(-c3nccn3CC)c3nc(c(-c4nccn4CC)c4ccc1[nH]4)C=C3)C=C2.CCn1ccnc1C=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3].c1cc[nH]c1
InChIInChI=1S/C48H62N12.C48H59N12.C40H38N12.C6H8N2O.C4H5N.CH4.5ClH.Mn/c2*1-9-53-25-26-54(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;1-5-49-21-17-41-37(49)33-25-9-11-27(45-25)34(38-42-18-22-50(38)6-2)29-13-15-31(47-29)36(40-44-20-24-52(40)8-4)32-16-14-30(48-32)35(28-12-10-26(33)46-28)39-43-19-23-51(39)7-3;1-2-8-4-3-7-6(8)5-9;1-2-4-5-3-1;;;;;;;/h17-32,45-49,52H,9-16H2,1-8H3;17-32,45-47H,9-16H2,1-8H3;9-24,45,48H,5-8H2,1-4H3;3-5H,2H2,1H3;1-5H;1H4;5*1H;/q;-1;;;;;;;;;;+3/p-5/b41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;41-33+,42-37+,43-36+;33-25+,33-26+,34-27+,34-29+,35-28+,35-30+,36-31+,36-32+;;;;;;;;;
InChIKeyWBIUPTFAJDYVEW-OKHXULGBSA-I
MW2737.50 g/mol
LogP12.83
Rot. Bonds34

About 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride

5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride (PubChem CID 161457503) has the molecular formula C147H176Cl5MnN39O-3 and a molecular weight of 2737.50 g/mol. Its IUPAC name is 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride.

Molecular Properties

Compound Name5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride
PubChem CID161457503
Molecular FormulaC147H176Cl5MnN39O-3
Molecular Weight2737.50 g/mol
Exact Mass2733.28
IUPAC Name5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride
SMILESC.CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([n-]3)c(C3N(CC)C=CN3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[n-]4)C=C3)C=C2.CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([nH]3)c(C3N(CC)C=CN3CC)c3nc(c(C4N(CC)C=CN4CC)c4ccc1[nH]4)C=C3)C=C2.CCn1ccnc1-c1c2nc(c(-c3nccn3CC)c3ccc([nH]3)c(-c3nccn3CC)c3nc(c(-c4nccn4CC)c4ccc1[nH]4)C=C3)C=C2.CCn1ccnc1C=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3].c1cc[nH]c1
InChIInChI=1S/C48H62N12.C48H59N12.C40H38N12.C6H8N2O.C4H5N.CH4.5ClH.Mn/c2*1-9-53-25-26-54(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;1-5-49-21-17-41-37(49)33-25-9-11-27(45-25)34(38-42-18-22-50(38)6-2)29-13-15-31(47-29)36(40-44-20-24-52(40)8-4)32-16-14-30(48-32)35(28-12-10-26(33)46-28)39-43-19-23-51(39)7-3;1-2-8-4-3-7-6(8)5-9;1-2-4-5-3-1;;;;;;;/h17-32,45-49,52H,9-16H2,1-8H3;17-32,45-47H,9-16H2,1-8H3;9-24,45,48H,5-8H2,1-4H3;3-5H,2H2,1H3;1-5H;1H4;5*1H;/q;-1;;;;;;;;;;+3/p-5/b41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;41-33+,42-37+,43-36+;33-25+,33-26+,34-27+,34-29+,35-28+,35-30+,36-31+,36-32+;;;;;;;;;
InChIKeyWBIUPTFAJDYVEW-OKHXULGBSA-I
XLogP12.83
TPSA344.83 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002737.50
LogP ≤ 512.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride with MolForge

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Related Compounds

1-ethylimidazole-2-carbaldehyde;manganese(3+);1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin
CID 162275331
manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride
CID 24978527
manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride
CID 135537062
bis(manganese(2+));methane;5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)porphyrin-22,24-diide;pentachloride
CID 160810927
5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)-21,23-dihydroporphyrin
CID 135415934
5,10,15,20-tetrakis[(1,3-diethylimidazol-1-ium-2-yl)methyl]-21,22-dihydroporphyrin
CID 10234790
5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-carbaldehyde
CID 136824553
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
5,20-bis(1-methylpyridin-1-ium-4-yl)-10,15-bis(4-nitrophenyl)-21,23-dihydroporphyrin dichloride
CID 135474876
5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-diphenyl-21,23-dihydroporphyrin
CID 135926486
(1-ethyl-4-pyridinylidene)-[4-[10,15,20-tris[4-[(1-ethyl-4-pyridinylidene)oxoniocarbonyl]phenyl]-21H-porphyrin-22-id-5-yl]benzoyl]oxidanium
CID 102464565
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride?
The IUPAC name of 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride (CID 161457503) is 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride.
What is the SMILES notation for 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride?
The canonical SMILES for 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride is C.CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([n-]3)c(C3N(CC)C=CN3CC)c3nc(c(-c4n(CC)cc[n+]4CC)c4ccc1[n-]4)C=C3)C=C2.CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([nH]3)c(C3N(CC)C=CN3CC)c3nc(c(C4N(CC)C=CN4CC)c4ccc1[nH]4)C=C3)C=C2.CCn1ccnc1-c1c2nc(c(-c3nccn3CC)c3ccc([nH]3)c(-c3nccn3CC)c3nc(c(-c4nccn4CC)c4ccc1[nH]4)C=C3)C=C2.CCn1ccnc1C=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3].c1cc[nH]c1.
What is the InChIKey of 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride?
The InChIKey is WBIUPTFAJDYVEW-OKHXULGBSA-I. The full InChI is InChI=1S/C48H62N12.C48H59N12.C40H38N12.C6H8N2O.C4H5N.CH4.5ClH.Mn/c2*1-9-53-25-26-54(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;1-5-49-21-17-41-37(49)33-25-9-11-27(45-25)34(38-42-18-22-50(38)6-2)29-13-15-31(47-29)36(40-44-20-24-52(40)8-4)32-16-14-30(48-32)35(28-12-10-26(33)46-28)39-43-19-23-51(39)7-3;1-2-8-4-3-7-6(8)5-9;1-2-4-5-3-1;;;;;;;/h17-32,45-49,52H,9-16H2,1-8H3;17-32,45-47H,9-16H2,1-8H3;9-24,45,48H,5-8H2,1-4H3;3-5H,2H2,1H3;1-5H;1H4;5*1H;/q;-1;;;;;;;;;;+3/p-5/b41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;41-33+,42-37+,43-36+;33-25+,33-26+,34-27+,34-29+,35-28+,35-30+,36-31+,36-32+;;;;;;;;;.
What are the key properties of 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride?
5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride has a molecular weight of 2737.50 g/mol, XLogP of 12.83, 34 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diethylimidazol-1-ium-2-yl)-10,15,20-tris(1,3-diethyl-2H-imidazol-2-yl)porphyrin-22,24-diide;1-ethylimidazole-2-carbaldehyde;manganese(3+);methane;1H-pyrrole;5,10,15,20-tetrakis(1,3-diethyl-2H-imidazol-2-yl)-21,23-dihydroporphyrin;5,10,15,20-tetrakis(1-ethylimidazol-2-yl)-21,23-dihydroporphyrin;pentachloride is sourced from PubChem (CID 161457503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).