5-isothiocyanato-1,10-phenanthroline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate

Systemtic Name: 5-isothiocyanato-1,10-phenanthroline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Openeye Name: 5-isothiocyanato-1,10-phenanthroline; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate CAS Name: 5-isothiocyanato-1,10-phenanthroline; 2-(2-pyridinyl)pyridine; ruthenium(2+); dihexafluorophosphate IUPAC Name: 5-isothiocyanato-1,10-phenanthroline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Traditional Name: 5-isothiocyanato-1,10-phenanthroline; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate Formula: C33H23F12N7P2RuS MolecularWeight: 940.64598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N=C=S.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N=C=S.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C13H7N3S.2C10H8N2.2F6P.Ru/c17-8-16-11-7-9-3-1-5-14-12(9)13-10(11)4-2-6-15-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-7H;2*1-8H;;;/q;;;2*-1;+2