zinc 5-(4-ethenylphenyl)-10,15,20-tris(4-methylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5-(4-ethenylphenyl)-10,15,20-tris(4-methylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5,10,15-tris(p-tolyl)-20-(4-vinylphenyl)porphyrin-22,23-diide CAS Name: zinc 5-(4-ethenylphenyl)-10,15,20-tris(4-methylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 5-(4-ethenylphenyl)-10,15,20-tris(4-methylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5,10,15-tris(p-tolyl)-20-(4-vinylphenyl)porphine-22,23-diide Formula: C49H36N4Zn MolecularWeight: 746.24594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C=C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C=C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Zn+2]

InChI

InChI=1S/C49H36N4.Zn/c1-5-33-12-20-37(21-13-33)49-44-28-26-42(52-44)47(35-16-8-31(3)9-17-35)40-24-22-38(50-40)46(34-14-6-30(2)7-15-34)39-23-25-41(51-39)48(43-27-29-45(49)53-43)36-18-10-32(4)11-19-36;/h5-29H,1H2,2-4H3;/q-2;+2