zinc 5,10,15,20-tetraphenylporphyrin-22,24-diide-2-carbonitrile

Systemtic Name: zinc 5,10,15,20-tetraphenylporphyrin-22,24-diide-2-carbonitrile Openeye Name: zinc 5,10,15,20-tetraphenylporphyrin-22,24-diide-2-carbonitrile CAS Name: zinc 5,10,15,20-tetraphenyl-2-porphyrin-22,24-diidecarbonitrile IUPAC Name: zinc 5,10,15,20-tetraphenylporphyrin-22,24-diide-2-carbonitrile Traditional Name: zinc 5,10,15,20-tetraphenylporphine-22,24-diide-2-carbonitrile Formula: C45H27N5Zn MolecularWeight: 703.13838

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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)C9=CC=CC=C9)[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)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C45H27N5.Zn/c46-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(48-38)41(29-13-5-1-6-14-29)34-21-22-35(47-34)42(30-15-7-2-8-16-30)37-25-26-39(49-37)44(45(33)50-40)32-19-11-4-12-20-32;/h1-27H;/q-2;+2