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

Systemtic Name: 5-bromanyl-15-phenoxy-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5-bromo-15-phenoxy-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5-bromo-15-phenoxy-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5-bromo-15-phenoxy-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5-bromo-15-phenoxy-10,20-diphenyl-porphine-21,22-diide Formula: C38H23BrN4NiO MolecularWeight: 690.21282

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=CC=CC=C7)C8=CC=CC=C8)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=CC=CC=C7)C8=CC=CC=C8)Br)[N-]3.[Ni+2]

InChI

InChI=1S/C38H23BrN4O.Ni/c39-37-31-20-16-27(40-31)35(24-10-4-1-5-11-24)29-18-22-33(42-29)38(44-26-14-8-3-9-15-26)34-23-19-30(43-34)36(25-12-6-2-7-13-25)28-17-21-32(37)41-28;/h1-23H;/q-2;+2