copper 2-bromanyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide

Systemtic Name: copper 2-bromanyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide Openeye Name: copper 2-bromo-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: copper 2-bromo-5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: copper 2-bromo-5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cupric 2-bromo-5,10,15,20-tetraphenyl-porphine-22,24-diide Formula: C44H27BrCuN4 MolecularWeight: 755.16198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)Br)C9=CC=CC=C9)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)Br)C9=CC=CC=C9)[N-]3.[Cu+2]

InChI

InChI=1S/C44H27BrN4.Cu/c45-32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(47-37)40(28-13-5-1-6-14-28)33-21-22-34(46-33)41(29-15-7-2-8-16-29)36-25-26-38(48-36)43(44(32)49-39)31-19-11-4-12-20-31;/h1-27H;/q-2;+2