Molecule ID: 44140592

IUPAC Name: 4-phenyl-2-(4-phenylpyridin-2-yl)pyridine;ruthenium(2+);dichloride

Description: The molecule is a ruthenium coordination entity consisting of ruthenium(II) chloride bound to three 4,4'-diphenyl-2,2'-bipyridine units. It has a role as a fluorochrome. It is a ruthenium coordination entity and an organic chloride salt. It contains a tris(4,4'-diphenyl-2,2'-bipyridine)ruthenium(II).

SMILES: [Cl-].[Cl-].[Ru+2].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1

SELFIES: [Cl-1].[Cl-1].[Ru+2].[C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2].[C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2].[C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/3C22H16N2.2ClH.Ru/c3*1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2

Molecular Properties:
- Polar Surface Area: 77.3 Ų
- LogP: nan