10-tert-butyl-5,15-diphenyl-porphyrin-22,24-diide; nickel(2+)

Systemtic Name: 10-tert-butyl-5,15-diphenyl-porphyrin-22,24-diide; nickel(2+) Openeye Name: nickelous 10-tert-butyl-5,15-diphenyl-porphyrin-22,24-diide CAS Name: 10-tert-butyl-5,15-diphenylporphyrin-22,24-diide; nickel(2+) IUPAC Name: 10-tert-butyl-5,15-diphenylporphyrin-22,24-diide; nickel(2+) Traditional Name: nickelous 10-tert-butyl-5,15-diphenyl-porphine-22,24-diide Formula: C36H28N4Ni MolecularWeight: 575.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Ni+2]

Isomeric SMILES

CC(C)(C)C1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Ni+2]

InChI

InChI=1S/C36H28N4.Ni/c1-36(2,3)35-31-20-18-29(39-31)33(23-10-6-4-7-11-23)27-16-14-25(37-27)22-26-15-17-28(38-26)34(24-12-8-5-9-13-24)30-19-21-32(35)40-30;/h4-22H,1-3H3;/q-2;+2