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

C146H173MnN39O+ — CID 162275331

IUPAC1-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
SMILESCCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([n-]3)c(C3N(CC)C=CN3CC)c3nc(c(C4N(CC)C=CN4CC)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.[Mn+3].c1cc[nH]c1
InChIInChI=1S/C48H62N12.C48H60N12.C40H38N12.C6H8N2O.C4H5N.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;17-32,45-48H,9-16H2,1-8H3;9-24,45,48H,5-8H2,1-4H3;3-5H,2H2,1H3;1-5H;/q;-2;;;;+3/b2*41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;33-25+,33-26+,34-27+,34-29+,35-28+,35-30+,36-31+,36-32+;;;
InChIKeyPNQHSAFLKRUPDH-POXBEGLBSA-N
MW2545.20 g/mol
LogP27.50
Rot. Bonds34

About 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

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 (PubChem CID 162275331) has the molecular formula C146H173MnN39O+ and a molecular weight of 2545.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162275331
Molecular FormulaC146H173MnN39O+
Molecular Weight2545.20 g/mol
Exact Mass2543.41
IUPAC Name1-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
SMILESCCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([n-]3)c(C3N(CC)C=CN3CC)c3nc(c(C4N(CC)C=CN4CC)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.[Mn+3].c1cc[nH]c1
InChIInChI=1S/C48H62N12.C48H60N12.C40H38N12.C6H8N2O.C4H5N.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;17-32,45-48H,9-16H2,1-8H3;9-24,45,48H,5-8H2,1-4H3;3-5H,2H2,1H3;1-5H;/q;-2;;;;+3/b2*41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;33-25+,33-26+,34-27+,34-29+,35-28+,35-30+,36-31+,36-32+;;;
InChIKeyPNQHSAFLKRUPDH-POXBEGLBSA-N
XLogP27.50
TPSA342.50 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.20
LogP ≤ 527.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

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Related Compounds

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
4-[15-(1-methylimidazol-2-yl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]benzaldehyde
CID 136805827
manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin;pentachloride
CID 135537062
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
manganese(2+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;tetrachloride
CID 24978527
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
(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
2-[[2-[10,20-bis(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11990915
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5-[10,20-diheptyl-15-(3-methyl-1,2-dihydroimidazol-2-yl)-21,23-dihydroporphyrin-5-yl]-10,20-diheptyl-15-(3-methyl-1,2-dihydroimidazol-2-yl)-21,23-dihydroporphyrin
CID 136835572

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C=CN(CC)C1c1c2nc(c(C3N(CC)C=CN3CC)c3ccc([n-]3)c(C3N(CC)C=CN3CC)c3nc(c(C4N(CC)C=CN4CC)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.[Mn+3].c1cc[nH]c1.
What is the InChIKey of 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?
The InChIKey is PNQHSAFLKRUPDH-POXBEGLBSA-N. The full InChI is InChI=1S/C48H62N12.C48H60N12.C40H38N12.C6H8N2O.C4H5N.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;17-32,45-48H,9-16H2,1-8H3;9-24,45,48H,5-8H2,1-4H3;3-5H,2H2,1H3;1-5H;/q;-2;;;;+3/b2*41-33+,41-34+,42-35+,42-37+,43-36+,43-38+,44-39+,44-40+;33-25+,33-26+,34-27+,34-29+,35-28+,35-30+,36-31+,36-32+;;;.
What are the key properties of 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?
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 has a molecular weight of 2545.20 g/mol, XLogP of 27.50, 34 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162275331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).