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

Systemtic Name: copper 5,10,15,20-tetraphenyl-2-propan-2-yl-porphyrin-22,24-diide Openeye Name: copper 2-isopropyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: copper 5,10,15,20-tetraphenyl-2-propan-2-ylporphyrin-22,24-diide IUPAC Name: copper 5,10,15,20-tetraphenyl-2-propan-2-ylporphyrin-22,24-diide Traditional Name: cupric 2-isopropyl-5,10,15,20-tetraphenyl-porphine-22,24-diide Formula: C47H34CuN4 MolecularWeight: 718.34566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C47H34N4.Cu/c1-30(2)35-29-42-45(33-19-11-5-12-20-33)40-26-25-38(49-40)43(31-15-7-3-8-16-31)36-23-24-37(48-36)44(32-17-9-4-10-18-32)39-27-28-41(50-39)46(47(35)51-42)34-21-13-6-14-22-34;/h3-30H,1-2H3;/q-2;+2