zinc 5,15-diphenyl-10-(2-phenylethynyl)-20-(trifluoromethyl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)-20-(trifluoromethyl)porphyrin-22,23-diide Openeye Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)-20-(trifluoromethyl)porphyrin-22,23-diide CAS Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)-20-(trifluoromethyl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)-20-(trifluoromethyl)porphyrin-22,23-diide Traditional Name: zinc 5,15-diphenyl-10-(2-phenylethynyl)-20-(trifluoromethyl)porphine-22,23-diide Formula: C41H23F3N4Zn MolecularWeight: 694.05233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C(F)(F)F)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C(F)(F)F)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

InChI

InChI=1S/C41H23F3N4.Zn/c42-41(43,44)40-36-24-22-34(47-36)38(27-12-6-2-7-13-27)32-20-18-30(45-32)29(17-16-26-10-4-1-5-11-26)31-19-21-33(46-31)39(28-14-8-3-9-15-28)35-23-25-37(40)48-35;/h1-15,18-25H;/q-2;+2