zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenanthrene-9,10-dione

Systemtic Name: zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenanthrene-9,10-dione Openeye Name: zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenanthrene-9,10-dione CAS Name: zinc 3-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)phenanthrene-9,10-dione IUPAC Name: zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenanthrene-9,10-dione Traditional Name: zinc 3-(10,15,20-triphenylporphine-22,24-diid-5-yl)phenanthrene-9,10-quinone Formula: C52H30N4O2Zn MolecularWeight: 808.2292

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=CC9=C(C=C8)C(=O)C(=O)C1=CC=CC=C19)C=C4)C1=CC=CC=C1)[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=CC9=C(C=C8)C(=O)C(=O)C1=CC=CC=C19)C=C4)C1=CC=CC=C1)[N-]3.[Zn+2]

InChI

InChI=1S/C52H32N4O2.Zn/c57-51-36-19-11-10-18-35(36)38-30-34(20-21-37(38)52(51)58)50-45-28-26-43(55-45)48(32-14-6-2-7-15-32)41-24-22-39(53-41)47(31-12-4-1-5-13-31)40-23-25-42(54-40)49(33-16-8-3-9-17-33)44-27-29-46(50)56-44;/h1-30H,(H2,53,54,55,56,57,58);/q;+2/p-2