magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide

C56H54MgN4+2 — CID 58389375

IUPACmagnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide
SMILESCc1cc(C)c(-c2c3[nH+]c(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4[nH+]c(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.[Mg+2]
InChIInChI=1S/C56H52N4.Mg/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;/h13-28H,1-12H3;/q-2;+2/p+2/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+;
InChIKeyMCXWFKCWAUKOQL-XYIYAAJRSA-P
MW807.38 g/mol
LogP12.74
Rot. Bonds4

About magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide

magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide (PubChem CID 58389375) has the molecular formula C56H54MgN4+2 and a molecular weight of 807.38 g/mol. Its IUPAC name is magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide.

Molecular Properties

Compound Namemagnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide
PubChem CID58389375
Molecular FormulaC56H54MgN4+2
Molecular Weight807.38 g/mol
Exact Mass806.42
IUPAC Namemagnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide
SMILESCc1cc(C)c(-c2c3[nH+]c(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4[nH+]c(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.[Mg+2]
InChIInChI=1S/C56H52N4.Mg/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;/h13-28H,1-12H3;/q-2;+2/p+2/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+;
InChIKeyMCXWFKCWAUKOQL-XYIYAAJRSA-P
XLogP12.74
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.38
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide with MolForge

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Related Compounds

Zinc, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-1)-
CID 6515536
Cobalt(2+) 5,10,15,20-tetraphenyl-5,6,9,10,15,16,19,20-octahydroporphyrin-21,23-diide
CID 92033012
5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II)
CID 3748741
Platinum(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 57797240
{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(5,6,7,8-tetrahydro-naphthalen-2-yl)-butyl]-amine
CID 44267270
Zinc tetraphenylporphyrin
CID 368849
5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin
CID 135404289
Iron, [5,10,15,20-tetraphenylporphinato(2-)]-
CID 636234
1H-Pyrrole, 2-methyl-1-phenyl-5-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CID 3021794
5,10,15,20-Tetraphenyl-21H,23H-porphine cobalt(II)
CID 3994434
Iron tetraphenylporphine
CID 10963411
Mn-5,10,15,20-Tetraphenylporphyrin
CID 14757041

Frequently Asked Questions

What is the IUPAC name of magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide?
The IUPAC name of magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide (CID 58389375) is magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide.
What is the SMILES notation for magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide?
The canonical SMILES for magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide is Cc1cc(C)c(-c2c3[nH+]c(c(-c4c(C)cc(C)cc4C)c4ccc([n-]4)c(-c4c(C)cc(C)cc4C)c4[nH+]c(c(-c5c(C)cc(C)cc5C)c5ccc2[n-]5)C=C4)C=C3)c(C)c1.[Mg+2].
What is the InChIKey of magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide?
The InChIKey is MCXWFKCWAUKOQL-XYIYAAJRSA-P. The full InChI is InChI=1S/C56H52N4.Mg/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;/h13-28H,1-12H3;/q-2;+2/p+2/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+;.
What are the key properties of magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide?
magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide has a molecular weight of 807.38 g/mol, XLogP of 12.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diium-21,23-diide is sourced from PubChem (CID 58389375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).