copper (2Z)-2-[[4-(2-phenylethynyl)phenyl]-pyrrol-1-id-2-yl-methylidene]pyrrole

Systemtic Name: copper (2Z)-2-[[4-(2-phenylethynyl)phenyl]-pyrrol-1-id-2-yl-methylidene]pyrrole Openeye Name: copper (2Z)-2-[[4-(2-phenylethynyl)phenyl]-pyrrol-1-id-2-yl-methylene]pyrrole CAS Name: copper (2Z)-2-[[4-(2-phenylethynyl)phenyl]-(2-pyrrol-1-idyl)methylidene]pyrrole IUPAC Name: copper (2Z)-2-[[4-(2-phenylethynyl)phenyl]-pyrrol-1-id-2-ylmethylidene]pyrrole Traditional Name: cupric (2Z)-2-[[4-(2-phenylethynyl)phenyl]-pyrrol-1-id-2-yl-methylene]pyrrole Formula: C46H30CuN4 MolecularWeight: 702.3032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=C3C=CC=N3)C4=CC=C[N-]4.C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=C3C=CC=N3)C4=CC=C[N-]4.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C(=C\3/N=CC=C3)/C4=CC=C[N-]4.C1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C(=C\3/N=CC=C3)/C4=CC=C[N-]4.[Cu+2]

InChI

InChI=1S/2C23H15N2.Cu/c2*1-2-6-18(7-3-1)10-11-19-12-14-20(15-13-19)23(21-8-4-16-24-21)22-9-5-17-25-22;/h2*1-9,12-17H;/q2*-1;+2/b2*23-21-;