magnesium 5-(4-tert-butylphenyl)-10-(4-ethylphenyl)-20-(4-methylphenyl)-15-phenyl-porphyrin-21,22-diide

Systemtic Name: magnesium 5-(4-tert-butylphenyl)-10-(4-ethylphenyl)-20-(4-methylphenyl)-15-phenyl-porphyrin-21,22-diide Openeye Name: magnesium 5-(4-tert-butylphenyl)-10-(4-ethylphenyl)-15-phenyl-20-(p-tolyl)porphyrin-21,22-diide CAS Name: magnesium 5-(4-tert-butylphenyl)-10-(4-ethylphenyl)-20-(4-methylphenyl)-15-phenylporphyrin-21,22-diide IUPAC Name: magnesium 5-(4-tert-butylphenyl)-10-(4-ethylphenyl)-20-(4-methylphenyl)-15-phenylporphyrin-21,22-diide Traditional Name: magnesium 5-(4-tert-butylphenyl)-10-(4-ethylphenyl)-15-phenyl-20-(p-tolyl)porphine-21,22-diide Formula: C51H42MgN4 MolecularWeight: 735.21098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(C)(C)C)[N-]5)C8=CC=C(C=C8)C)C9=CC=CC=C9.[Mg+2]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(C)(C)C)[N-]5)C8=CC=C(C=C8)C)C9=CC=CC=C9.[Mg+2]

InChI

InChI=1S/C51H42N4.Mg/c1-6-33-14-18-36(19-15-33)49-43-27-25-40(53-43)47(34-10-8-7-9-11-34)39-24-26-41(52-39)48(35-16-12-32(2)13-17-35)42-28-30-45(54-42)50(46-31-29-44(49)55-46)37-20-22-38(23-21-37)51(3,4)5;/h7-31H,6H2,1-5H3;/q-2;+2