zinc 4-[15-(4-cyanophenyl)-10,20-bis(3-iodanylphenyl)porphyrin-21,22-diid-5-yl]benzenecarbonitrile

Systemtic Name: zinc 4-[15-(4-cyanophenyl)-10,20-bis(3-iodanylphenyl)porphyrin-21,22-diid-5-yl]benzenecarbonitrile Openeye Name: zinc 4-[15-(4-cyanophenyl)-10,20-bis(3-iodophenyl)porphyrin-21,22-diid-5-yl]benzonitrile CAS Name: zinc 4-[15-(4-cyanophenyl)-10,20-bis(3-iodophenyl)-5-porphyrin-21,22-diidyl]benzonitrile IUPAC Name: zinc 4-[15-(4-cyanophenyl)-10,20-bis(3-iodophenyl)porphyrin-21,22-diid-5-yl]benzonitrile Traditional Name: zinc 4-[15-(4-cyanophenyl)-10,20-bis(3-iodophenyl)porphine-21,22-diid-5-yl]benzonitrile Formula: C46H24I2N6Zn MolecularWeight: 979.9409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)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(=CC=C8)I)C9=CC=C(C=C9)C#N)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC(=CC(=C1)I)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(=CC=C8)I)C9=CC=C(C=C9)C#N)[N-]3.[Zn+2]

InChI

InChI=1S/C46H24I2N6.Zn/c47-33-5-1-3-31(23-33)45-39-19-15-35(51-39)43(29-11-7-27(25-49)8-12-29)37-17-21-41(53-37)46(32-4-2-6-34(48)24-32)42-22-18-38(54-42)44(36-16-20-40(45)52-36)30-13-9-28(26-50)10-14-30;/h1-24H;/q-2;+2