zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)phenyl]-4-iodanyl-benzamide

Systemtic Name: zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)phenyl]-4-iodanyl-benzamide Openeye Name: zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)phenyl]-4-iodo-benzamide CAS Name: zinc N-[4-(10,20-diphenyl-5-porphyrin-22,24-diidyl)phenyl]-4-iodobenzamide IUPAC Name: zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)phenyl]-4-iodobenzamide Traditional Name: zinc N-[4-(10,20-diphenylporphine-22,24-diid-5-yl)phenyl]-4-iodo-benzamide Formula: C45H28IN5OZn MolecularWeight: 847.05019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC(=O)C8=CC=C(C=C8)I)C9=CC=CC=C9)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC(=O)C8=CC=C(C=C8)I)C9=CC=CC=C9)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C45H29IN5O.Zn/c46-32-15-11-31(12-16-32)45(52)49-33-17-13-30(14-18-33)44-40-25-23-38(50-40)42(28-7-3-1-4-8-28)36-21-19-34(47-36)27-35-20-22-37(48-35)43(29-9-5-2-6-10-29)39-24-26-41(44)51-39;/h1-27H,(H2-,47,48,49,50,51,52);/q-1;+2/p-1