zinc 10,15,20-triphenylporphyrin-22,24-diide-5-carbonitrile

Systemtic Name: zinc 10,15,20-triphenylporphyrin-22,24-diide-5-carbonitrile Openeye Name: zinc 10,15,20-triphenylporphyrin-22,24-diide-5-carbonitrile CAS Name: zinc 10,15,20-triphenyl-5-porphyrin-22,24-diidecarbonitrile IUPAC Name: zinc 10,15,20-triphenylporphyrin-22,24-diide-5-carbonitrile Traditional Name: zinc 10,15,20-triphenylporphine-22,24-diide-5-carbonitrile Formula: C39H23N5Zn MolecularWeight: 627.04242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C#N)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C#N)[N-]3.[Zn+2]

InChI

InChI=1S/C39H23N5.Zn/c40-24-28-29-16-18-31(41-29)37(25-10-4-1-5-11-25)33-20-22-35(43-33)39(27-14-8-3-9-15-27)36-23-21-34(44-36)38(26-12-6-2-7-13-26)32-19-17-30(28)42-32;/h1-23H;/q-2;+2