3-(3,3-dimethylbutan-2-yl)-1,10-phenanthroline; palladium(2+); dihexafluorophosphate

Systemtic Name: 3-(3,3-dimethylbutan-2-yl)-1,10-phenanthroline; palladium(2+); dihexafluorophosphate Openeye Name: palladium(2+); 3-(1,2,2-trimethylpropyl)-1,10-phenanthroline; dihexafluorophosphate CAS Name: 3-(3,3-dimethylbutan-2-yl)-1,10-phenanthroline; palladium(2+); dihexafluorophosphate IUPAC Name: 3-(3,3-dimethylbutan-2-yl)-1,10-phenanthroline; palladium(2+); dihexafluorophosphate Traditional Name: palladium(2+); 3-(1,2,2-trimethylpropyl)-1,10-phenanthroline; dihexafluorophosphate Formula: C36H40F12N4P2Pd MolecularWeight: 925.07796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C2C(=C1)C=CC3=C2N=CC=C3)C(C)(C)C.CC(C1=CN=C2C(=C1)C=CC3=C2N=CC=C3)C(C)(C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2]

Isomeric SMILES

CC(C1=CN=C2C(=C1)C=CC3=C2N=CC=C3)C(C)(C)C.CC(C1=CN=C2C(=C1)C=CC3=C2N=CC=C3)C(C)(C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2]

InChI

InChI=1S/2C18H20N2.2F6P.Pd/c2*1-12(18(2,3)4)15-10-14-8-7-13-6-5-9-19-16(13)17(14)20-11-15;2*1-7(2,3,4,5)6;/h2*5-12H,1-4H3;;;/q;;2*-1;+2