copper 2-nitro-5,10,15,20-tetraphenyl-3-propan-2-yl-2,3-dihydroporphyrin-22,24-diide

Systemtic Name: copper 2-nitro-5,10,15,20-tetraphenyl-3-propan-2-yl-2,3-dihydroporphyrin-22,24-diide Openeye Name: copper 2-isopropyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide CAS Name: copper 2-nitro-5,10,15,20-tetraphenyl-3-propan-2-yl-2,3-dihydroporphyrin-22,24-diide IUPAC Name: copper 2-nitro-5,10,15,20-tetraphenyl-3-propan-2-yl-2,3-dihydroporphyrin-22,24-diide Traditional Name: cupric 2-isopropyl-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphine-22,24-diide Formula: C47H35CuN5O2 MolecularWeight: 765.3591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-].[Cu+2]

Isomeric SMILES

CC(C)C1C(C2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-].[Cu+2]

InChI

InChI=1S/C47H35N5O2.Cu/c1-29(2)40-45-43(32-19-11-5-12-20-32)38-27-25-36(49-38)41(30-15-7-3-8-16-30)34-23-24-35(48-34)42(31-17-9-4-10-18-31)37-26-28-39(50-37)44(33-21-13-6-14-22-33)46(51-45)47(40)52(53)54;/h3-29,40,47H,1-2H3;/q-2;+2