copper 2-methyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide

Systemtic Name: copper 2-methyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide Openeye Name: copper 2-methyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: copper 2-methyl-5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: copper 2-methyl-5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cupric 2-methyl-5,10,15,20-tetraphenyl-porphine-22,24-diide Formula: C45H30CuN4 MolecularWeight: 690.2925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

CC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

InChI

InChI=1S/C45H30N4.Cu/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33;/h2-28H,1H3;/q-2;+2