zinc 5-(4-nitrophenyl)-10,15,20-triphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-(4-nitrophenyl)-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-(4-nitrophenyl)-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-(4-nitrophenyl)-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-(4-nitrophenyl)-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-(4-nitrophenyl)-10,15,20-triphenyl-porphine-22,24-diide Formula: C44H27N5O2Zn MolecularWeight: 723.12648

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=C(C=C8)[N+](=O)[O-])C=C4)C9=CC=CC=C9)[N-]3.[Zn+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=C(C=C8)[N+](=O)[O-])C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C44H27N5O2.Zn/c50-49(51)32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38;/h1-27H;/q-2;+2