copper 2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)phenolate

Systemtic Name: copper 2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)phenolate Openeye Name: copper 2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)phenolate CAS Name: copper 2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)phenolate IUPAC Name: copper 2-(10,15,20-triphenyl-23H-porphyrin-21-id-5-yl)phenolate Traditional Name: cupric 2-(10,15,20-triphenyl-23H-porphin-21-id-5-yl)phenolate Formula: C44H28CuN4O MolecularWeight: 692.26532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9[O-])[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9[O-])[N-]3.[Cu+2]

InChI

InChI=1S/C44H29N4O.Cu/c49-40-19-11-10-18-31(40)44-38-26-24-36(47-38)42(29-14-6-2-7-15-29)34-22-20-32(45-34)41(28-12-4-1-5-13-28)33-21-23-35(46-33)43(30-16-8-3-9-17-30)37-25-27-39(44)48-37;/h1-27H,(H2-,45,46,47,48,49);/q-1;+2/p-1