copper 5,10,15,20-tetranaphthalen-2-yl-2-nitro-porphyrin-21,23-diide

Systemtic Name: copper 5,10,15,20-tetranaphthalen-2-yl-2-nitro-porphyrin-21,23-diide Openeye Name: copper 5,10,15,20-tetrakis(2-naphthyl)-2-nitro-porphyrin-21,23-diide CAS Name: copper 5,10,15,20-tetrakis(2-naphthalenyl)-2-nitroporphyrin-21,23-diide IUPAC Name: copper 5,10,15,20-tetranaphthalen-2-yl-2-nitroporphyrin-21,23-diide Traditional Name: cupric 5,10,15,20-tetrakis(2-naphthyl)-2-nitro-porphine-21,23-diide Formula: C60H35CuN5O2 MolecularWeight: 921.4982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC(=C(C5=NC(=C(C6=C(C=C([N-]6)C(=C7C=CC3=N7)C8=CC9=CC=CC=C9C=C8)[N+](=O)[O-])C1=CC2=CC=CC=C2C=C1)C=C5)C1=CC2=CC=CC=C2C=C1)[N-]4.[Cu+2]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC(=C(C5=NC(=C(C6=C(C=C([N-]6)C(=C7C=CC3=N7)C8=CC9=CC=CC=C9C=C8)[N+](=O)[O-])C1=CC2=CC=CC=C2C=C1)C=C5)C1=CC2=CC=CC=C2C=C1)[N-]4.[Cu+2]

InChI

InChI=1S/C60H35N5O2.Cu/c66-65(67)55-35-54-58(46-23-19-38-11-3-7-15-42(38)33-46)52-28-27-50(62-52)56(44-21-17-36-9-1-5-13-40(36)31-44)48-25-26-49(61-48)57(45-22-18-37-10-2-6-14-41(37)32-45)51-29-30-53(63-51)59(60(55)64-54)47-24-20-39-12-4-8-16-43(39)34-47;/h1-35H;/q-2;+2