copper 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,3-dicarbonitrile

Systemtic Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,3-dicarbonitrile Openeye Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,3-dicarbonitrile CAS Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,3-dicarbonitrile IUPAC Name: copper 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,3-dicarbonitrile Traditional Name: cupric 5,10,15,20-tetraphenylporphine-22,24-diide-2,3-dicarbonitrile Formula: C46H26CuN6 MolecularWeight: 726.28484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4C#N)C#N)C9=CC=CC=C9)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4C#N)C#N)C9=CC=CC=C9)[N-]3.[Cu+2]

InChI

InChI=1S/C46H26N6.Cu/c47-27-33-34(28-48)46-44(32-19-11-4-12-20-32)40-26-24-38(51-40)42(30-15-7-2-8-16-30)36-22-21-35(49-36)41(29-13-5-1-6-14-29)37-23-25-39(50-37)43(45(33)52-46)31-17-9-3-10-18-31;/h1-26H;/q-2;+2