zinc 5-nonyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-nonyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-21,22-diide Openeye Name: zinc 5-nonyl-10,15,20-tris[2-(2-pyridyl)ethynyl]porphyrin-21,22-diide CAS Name: zinc 5-nonyl-10,15,20-tris[2-(2-pyridinyl)ethynyl]porphyrin-21,22-diide IUPAC Name: zinc 5-nonyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-21,22-diide Traditional Name: zinc 5-nonyl-10,15,20-tris[2-(2-pyridyl)ethynyl]porphine-21,22-diide Formula: C50H39N7Zn MolecularWeight: 803.30056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C#CC6=CC=CC=N6)C=C4)C#CC7=CC=CC=N7)C=C3)C#CC8=CC=CC=N8)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C#CC6=CC=CC=N6)C=C4)C#CC7=CC=CC=N7)C=C3)C#CC8=CC=CC=N8)[N-]2.[Zn+2]

InChI

InChI=1S/C50H39N7.Zn/c1-2-3-4-5-6-7-8-18-39-43-25-27-45(54-43)40(22-19-36-15-9-12-33-51-36)47-29-31-49(56-47)42(24-21-38-17-11-14-35-53-38)50-32-30-48(57-50)41(46-28-26-44(39)55-46)23-20-37-16-10-13-34-52-37;/h9-17,25-35H,2-8,18H2,1H3;/q-2;+2