zinc 5,15-dimethyl-10-(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,24-diide

Systemtic Name: zinc 5,15-dimethyl-10-(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,24-diide Openeye Name: zinc 5-(4-allylphenyl)-10,20-dimethyl-15-(p-tolyl)porphyrin-22,24-diide CAS Name: zinc 5,15-dimethyl-10-(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,24-diide IUPAC Name: zinc 5,15-dimethyl-10-(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,24-diide Traditional Name: zinc 5-(4-allylphenyl)-10,20-dimethyl-15-(p-tolyl)porphine-22,24-diide Formula: C38H30N4Zn MolecularWeight: 608.0806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C)C7=CC=C(C=C7)CC=C)C=C4)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C)C7=CC=C(C=C7)CC=C)C=C4)C)[N-]3.[Zn+2]

InChI

InChI=1S/C38H30N4.Zn/c1-5-6-26-9-13-28(14-10-26)38-35-21-17-31(41-35)24(3)29-15-19-33(39-29)37(27-11-7-23(2)8-12-27)34-20-16-30(40-34)25(4)32-18-22-36(38)42-32;/h5,7-22H,1,6H2,2-4H3;/q-2;+2