5-bromanyl-15-(4-methylphenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5-bromanyl-15-(4-methylphenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5-bromo-15-(4-methylphenoxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5-bromo-15-(4-methylphenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5-bromo-15-(4-methylphenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5-bromo-15-(4-methylphenoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C39H25BrN4NiO MolecularWeight: 704.2394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)[N-]4)C8=CC=CC=C8.[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)[N-]4)C8=CC=CC=C8.[Ni+2]

InChI

InChI=1S/C39H25BrN4O.Ni/c1-24-12-14-27(15-13-24)45-39-34-22-18-30(43-34)36(25-8-4-2-5-9-25)28-16-20-32(41-28)38(40)33-21-17-29(42-33)37(26-10-6-3-7-11-26)31-19-23-35(39)44-31;/h2-23H,1H3;/q-2;+2