N-(10,20-diphenylporphyrin-22,24-diid-5-yl)benzamide; nickel(2+)

Systemtic Name: N-(10,20-diphenylporphyrin-22,24-diid-5-yl)benzamide; nickel(2+) Openeye Name: nickelous N-(10,20-diphenylporphyrin-22,24-diid-5-yl)benzamide CAS Name: N-(10,20-diphenyl-5-porphyrin-22,24-diidyl)benzamide; nickel(2+) IUPAC Name: N-(10,20-diphenylporphyrin-22,24-diid-5-yl)benzamide; nickel(2+) Traditional Name: nickelous N-(10,20-diphenylporphine-22,24-diid-5-yl)benzamide Formula: C39H25N5NiO MolecularWeight: 638.3421

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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)NC(=O)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)[N-]3.[Ni+2]

Isomeric SMILES

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

InChI

InChI=1S/C39H26N5O.Ni/c45-39(27-14-8-3-9-15-27)44-38-34-22-20-32(42-34)36(25-10-4-1-5-11-25)30-18-16-28(40-30)24-29-17-19-31(41-29)37(26-12-6-2-7-13-26)33-21-23-35(38)43-33;/h1-24H,(H2-,40,41,42,43,44,45);/q-1;+2/p-1