zinc 5,10,15-tris(2,4,6-trimethylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 5,10,15-tris(2,4,6-trimethylphenyl)porphyrin-22,23-diide Openeye Name: zinc 5,10,15-tris(2,4,6-trimethylphenyl)porphyrin-22,23-diide CAS Name: zinc 5,10,15-tris(2,4,6-trimethylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 5,10,15-tris(2,4,6-trimethylphenyl)porphyrin-22,23-diide Traditional Name: zinc 5,10,15-trimesitylporphine-22,23-diide Formula: C47H42N4Zn MolecularWeight: 728.27218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C47H42N4.Zn/c1-25-18-28(4)42(29(5)19-25)45-36-12-10-34(48-36)24-35-11-13-37(49-35)46(43-30(6)20-26(2)21-31(43)7)39-15-17-41(51-39)47(40-16-14-38(45)50-40)44-32(8)22-27(3)23-33(44)9;/h10-24H,1-9H3;/q-2;+2