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

Systemtic Name: 5,15-bis(bromanyl)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5,15-dibromo-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5,15-dibromo-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5,15-dibromo-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5,15-dibromo-10,20-diphenyl-porphine-21,22-diide Formula: C32H18Br2N4Ni MolecularWeight: 677.01352

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)Br)C7=CC=CC=C7)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)Br)C7=CC=CC=C7)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C32H18Br2N4.Ni/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23;/h1-18H;/q-2;+2