3-ethynyl-1,10-phenanthroline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate

Systemtic Name: 3-ethynyl-1,10-phenanthroline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Openeye Name: 3-ethynyl-1,10-phenanthroline; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate CAS Name: 3-ethynyl-1,10-phenanthroline; 2-(2-pyridinyl)pyridine; ruthenium(2+); dihexafluorophosphate IUPAC Name: 3-ethynyl-1,10-phenanthroline; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Traditional Name: 3-ethynyl-1,10-phenanthroline; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate Formula: C34H24F12N6P2Ru MolecularWeight: 907.59292

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

C#CC1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C14H8N2.2C10H8N2.2F6P.Ru/c1-2-10-8-12-6-5-11-4-3-7-15-13(11)14(12)16-9-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1,3-9H;2*1-8H;;;/q;;;2*-1;+2