zinc 5,15-diphenyl-10-(2-phenylethynyl)porphyrin-22,24-diide

Systemtic Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)porphyrin-22,24-diide Openeye Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)porphyrin-22,24-diide CAS Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)porphyrin-22,24-diide IUPAC Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)porphyrin-22,24-diide Traditional Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)porphine-22,24-diide Formula: C40H24N4Zn MolecularWeight: 626.05436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C40H24N4.Zn/c1-4-10-27(11-5-1)16-19-32-33-22-24-37(43-33)39(28-12-6-2-7-13-28)35-20-17-30(41-35)26-31-18-21-36(42-31)40(29-14-8-3-9-15-29)38-25-23-34(32)44-38;/h1-15,17-18,20-26H;/q-2;+2