zinc 1-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate

Systemtic Name: zinc 1-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate Openeye Name: zinc 1-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate CAS Name: zinc 1-(10,15,20-triphenyl-5-porphyrinyl)phenanthrene-9,10-diolate IUPAC Name: zinc 1-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate Traditional Name: zinc 1-(10,15,20-triphenylporphin-5-yl)phenanthrene-9,10-diolate 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(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC9=C8C(=C(C1=CC=CC=C91)[O-])[O-])C1=CC=CC=C1.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC9=C8C(=C(C1=CC=CC=C91)[O-])[O-])C1=CC=CC=C1.[Zn+2]

InChI

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