copper N-(5,10,15,20-tetraphenylporphyrin-22,24-diid-2-yl)nitrous amide

Systemtic Name: copper N-(5,10,15,20-tetraphenylporphyrin-22,24-diid-2-yl)nitrous amide Openeye Name: copper N-(5,10,15,20-tetraphenylporphyrin-22,24-diid-2-yl)nitrous amide CAS Name: copper N-(5,10,15,20-tetraphenyl-2-porphyrin-22,24-diidyl)nitrous amide IUPAC Name: copper N-(5,10,15,20-tetraphenylporphyrin-22,24-diid-2-yl)nitrous amide Traditional Name: cupric N-(5,10,15,20-tetraphenylporphine-22,24-diid-2-yl)nitrous amide Formula: C44H28CuN6O MolecularWeight: 720.27872

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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)NN=O)C9=CC=CC=C9)[N-]3.[Cu+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)NN=O)C9=CC=CC=C9)[N-]3.[Cu+2]

InChI

InChI=1S/C44H29N6O.Cu/c51-50-49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31;/h1-27H,(H2-,45,46,47,48,49,50,51);/q-1;+2/p-1