3-diazo-5,10,15,20-tetraphenyl-porphyrin-22-id-2-olate; nickel(2+)

Systemtic Name: 3-diazo-5,10,15,20-tetraphenyl-porphyrin-22-id-2-olate; nickel(2+) Openeye Name: nickelous 3-diazo-5,10,15,20-tetraphenyl-porphyrin-22-id-2-olate CAS Name: 3-diazo-5,10,15,20-tetraphenyl-2-porphyrin-22-idolate; nickel(2+) IUPAC Name: 3-diazo-5,10,15,20-tetraphenylporphyrin-22-id-2-olate; nickel(2+) Traditional Name: nickelous 3-diazo-5,10,15,20-tetraphenyl-porphin-22-id-2-olate Formula: C44H26N6NiO MolecularWeight: 713.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C4=[N+]=[N-])[O-])C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C4=[N+]=[N-])[O-])C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.[Ni+2]

InChI

InChI=1S/C44H27N6O.Ni/c45-50-43-41-39(29-17-9-3-10-18-29)35-25-23-33(47-35)37(27-13-5-1-6-14-27)31-21-22-32(46-31)38(28-15-7-2-8-16-28)34-24-26-36(48-34)40(42(49-41)44(43)51)30-19-11-4-12-20-30;/h1-26H,(H-,46,47,48,49,51);/q-1;+2/p-1