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

Systemtic Name: 5-bromanyl-15-naphthalen-2-yloxy-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5-bromo-15-(2-naphthyloxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5-bromo-15-(2-naphthalenyloxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5-bromo-15-naphthalen-2-yloxy-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5-bromo-15-(2-naphthoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C42H25BrN4NiO MolecularWeight: 740.2715

Click to see the large picture

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)OC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9)Br)[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)OC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C42H25BrN4O.Ni/c43-41-35-21-17-31(44-35)39(27-10-3-1-4-11-27)33-19-23-37(46-33)42(48-30-16-15-26-9-7-8-14-29(26)25-30)38-24-20-34(47-38)40(28-12-5-2-6-13-28)32-18-22-36(41)45-32;/h1-25H;/q-2;+2