zinc 10-(4-ethynylphenyl)-5,15-bis(4-methylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 10-(4-ethynylphenyl)-5,15-bis(4-methylphenyl)porphyrin-22,23-diide Openeye Name: zinc 10-(4-ethynylphenyl)-5,15-bis(p-tolyl)porphyrin-22,23-diide CAS Name: zinc 10-(4-ethynylphenyl)-5,15-bis(4-methylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 10-(4-ethynylphenyl)-5,15-bis(4-methylphenyl)porphyrin-22,23-diide Traditional Name: zinc 10-(4-ethynylphenyl)-5,15-bis(p-tolyl)porphine-22,23-diide Formula: C42H28N4Zn MolecularWeight: 654.10752

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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)C8=CC=C(C=C8)C#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)C8=CC=C(C=C8)C#C)[N-]3.[Zn+2]

InChI

InChI=1S/C42H28N4.Zn/c1-4-28-9-15-31(16-10-28)42-38-23-21-36(45-38)40(29-11-5-26(2)6-12-29)34-19-17-32(43-34)25-33-18-20-35(44-33)41(37-22-24-39(42)46-37)30-13-7-27(3)8-14-30;/h1,5-25H,2-3H3;/q-2;+2