copper [3-(azanidylidenemethylidene)-5,10,15,20-tetraphenyl-porphyrin-2-ylidene]methylideneazanide

Systemtic Name: copper [3-(azanidylidenemethylidene)-5,10,15,20-tetraphenyl-porphyrin-2-ylidene]methylideneazanide Openeye Name: copper [3-(azanidylidenemethylene)-5,10,15,20-tetraphenyl-porphyrin-2-ylidene]methyleneazanide CAS Name: copper [3-(azanidylidenemethylidene)-5,10,15,20-tetraphenyl-2-porphyrinylidene]methylideneazanide IUPAC Name: copper [3-(azanidylidenemethylidene)-5,10,15,20-tetraphenylporphyrin-2-ylidene]methylideneazanide Traditional Name: cupric [3-(amidylidenemethylene)-5,10,15,20-tetraphenyl-porphin-2-ylidene]methyleneazanide Formula: C46H26CuN6 MolecularWeight: 726.28484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C(=C=[N-])C(=C=[N-])C(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C(=C=[N-])C(=C=[N-])C(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[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