nickel(2+); 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)porphyrin-23,24-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)porphyrin-23,24-diide Openeye Name: nickelous 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)porphyrin-23,24-diide CAS Name: nickel(2+); 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)porphyrin-23,24-diide IUPAC Name: nickel(2+); 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)porphyrin-23,24-diide Traditional Name: nickelous 5,10,15,20-tetraphenyl-2,7-bis(2-phenylethynyl)porphine-23,24-diide Formula: C60H36N4Ni MolecularWeight: 871.64804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=NC2=C(C4=CC=C([N-]4)C(=C5C=CC(=C(C6=NC(=C3C7=CC=CC=C7)C(=C6)C#CC8=CC=CC=C8)C9=CC=CC=C9)[N-]5)C1=CC=CC=C1)C1=CC=CC=C1.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=NC2=C(C4=CC=C([N-]4)C(=C5C=CC(=C(C6=NC(=C3C7=CC=CC=C7)C(=C6)C#CC8=CC=CC=C8)C9=CC=CC=C9)[N-]5)C1=CC=CC=C1)C1=CC=CC=C1.[Ni+2]

InChI

InChI=1S/C60H36N4.Ni/c1-7-19-41(20-8-1)31-33-47-39-53-56(44-25-13-4-14-26-44)51-36-35-49(61-51)55(43-23-11-3-12-24-43)50-37-38-52(62-50)57(45-27-15-5-16-28-45)59-48(34-32-42-21-9-2-10-22-42)40-54(64-59)58(60(47)63-53)46-29-17-6-18-30-46;/h1-30,35-40H;/q-2;+2