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

Systemtic Name: zinc 5-pentyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-21,22-diide Openeye Name: zinc 5-pentyl-10,15,20-tris[2-(2-pyridyl)ethynyl]porphyrin-21,22-diide CAS Name: zinc 5-pentyl-10,15,20-tris[2-(2-pyridinyl)ethynyl]porphyrin-21,22-diide IUPAC Name: zinc 5-pentyl-10,15,20-tris(2-pyridin-2-ylethynyl)porphyrin-21,22-diide Traditional Name: zinc 5-amyl-10,15,20-tris[2-(2-pyridyl)ethynyl]porphine-21,22-diide Formula: C46H31N7Zn MolecularWeight: 747.19424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=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

CCCCCC1=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/C46H31N7.Zn/c1-2-3-4-14-35-39-21-23-41(50-39)36(18-15-32-11-5-8-29-47-32)43-25-27-45(52-43)38(20-17-34-13-7-10-31-49-34)46-28-26-44(53-46)37(42-24-22-40(35)51-42)19-16-33-12-6-9-30-48-33;/h5-13,21-31H,2-4,14H2,1H3;/q-2;+2