(10,20-diphenylporphyrin-21,22-diid-5-yl)-phenyl-methanol; nickel(2+)

Systemtic Name: (10,20-diphenylporphyrin-21,22-diid-5-yl)-phenyl-methanol; nickel(2+) Openeye Name: nickelous (10,20-diphenylporphyrin-21,22-diid-5-yl)-phenyl-methanol CAS Name: (10,20-diphenyl-5-porphyrin-21,22-diidyl)-phenylmethanol; nickel(2+) IUPAC Name: (10,20-diphenylporphyrin-21,22-diid-5-yl)-phenylmethanol; nickel(2+) Traditional Name: nickelous (10,20-diphenylporphine-21,22-diid-5-yl)-phenyl-methanol Formula: C39H26N4NiO MolecularWeight: 625.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)C(C8=CC=CC=C8)O)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)C(C8=CC=CC=C8)O)[N-]3.[Ni+2]

InChI

InChI=1S/C39H26N4O.Ni/c44-39(27-14-8-3-9-15-27)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;/h1-24,39,44H;/q-2;+2