zinc 3-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate

Systemtic Name: zinc 3-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate Openeye Name: zinc 3-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate CAS Name: zinc 3-(10,15,20-triphenyl-5-porphyrinyl)phenanthrene-9,10-diolate IUPAC Name: zinc 3-(10,15,20-triphenylporphyrin-5-yl)phenanthrene-9,10-diolate Traditional Name: zinc 3-(10,15,20-triphenylporphin-5-yl)phenanthrene-9,10-diolate Formula: C52H30N4O2Zn MolecularWeight: 808.2292

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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=CC9=C(C=C8)C(=C(C1=CC=CC=C19)[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=CC9=C(C=C8)C(=C(C1=CC=CC=C19)[O-])[O-])C1=CC=CC=C1.[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;/h1-30,57-58H;/q;+2/p-2