zinc 4-[10,15,20-tris(4-cyanophenyl)porphyrin-22,23-diid-5-yl]benzenecarbonitrile

Systemtic Name: zinc 4-[10,15,20-tris(4-cyanophenyl)porphyrin-22,23-diid-5-yl]benzenecarbonitrile Openeye Name: zinc 4-[10,15,20-tris(4-cyanophenyl)porphyrin-22,23-diid-5-yl]benzonitrile CAS Name: zinc 4-[10,15,20-tris(4-cyanophenyl)-5-porphyrin-22,23-diidyl]benzonitrile IUPAC Name: zinc 4-[10,15,20-tris(4-cyanophenyl)porphyrin-22,23-diid-5-yl]benzonitrile Traditional Name: zinc 4-[10,15,20-tris(4-cyanophenyl)porphine-22,23-diid-5-yl]benzonitrile Formula: C48H24N8Zn MolecularWeight: 778.16676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N)[N-]3.[Zn+2]

InChI

InChI=1S/C48H24N8.Zn/c49-25-29-1-9-33(10-2-29)45-37-17-19-39(53-37)46(34-11-3-30(26-50)4-12-34)41-21-23-43(55-41)48(36-15-7-32(28-52)8-16-36)44-24-22-42(56-44)47(40-20-18-38(45)54-40)35-13-5-31(27-51)6-14-35;/h1-24H;/q-2;+2