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

Systemtic Name: zinc 10-(4-ethynylphenyl)-5,15-diphenyl-porphyrin-22,23-diide Openeye Name: zinc 10-(4-ethynylphenyl)-5,15-diphenyl-porphyrin-22,23-diide CAS Name: zinc 10-(4-ethynylphenyl)-5,15-diphenylporphyrin-22,23-diide IUPAC Name: zinc 10-(4-ethynylphenyl)-5,15-diphenylporphyrin-22,23-diide Traditional Name: zinc 10-(4-ethynylphenyl)-5,15-diphenyl-porphine-22,23-diide Formula: C40H24N4Zn MolecularWeight: 626.05436

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

InChI

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