copper N,5,10,15,20-pentakis-phenylporphyrin-23,24-diid-2-amine

Systemtic Name: copper N,5,10,15,20-pentakis-phenylporphyrin-23,24-diid-2-amine Openeye Name: copper N,5,10,15,20-pentakis-phenylporphyrin-23,24-diid-2-amine CAS Name: copper N,5,10,15,20-pentakis-phenyl-2-porphyrin-23,24-diidamine IUPAC Name: copper N,5,10,15,20-pentakis-phenylporphyrin-23,24-diid-2-amine Traditional Name: cupric phenyl-(5,10,15,20-tetraphenylporphine-23,24-diid-2-yl)amine Formula: C50H33CuN5 MolecularWeight: 767.37652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)NC8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)NC8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)[N-]3.[Cu+2]

InChI

InChI=1S/C50H33N5.Cu/c1-6-16-33(17-7-1)46-38-26-27-39(52-38)47(34-18-8-2-9-19-34)41-30-31-43(54-41)49(36-22-12-4-13-23-36)50-45(51-37-24-14-5-15-25-37)32-44(55-50)48(35-20-10-3-11-21-35)42-29-28-40(46)53-42;/h1-32,51H;/q-2;+2