4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

C54H39Cl2N11O8Ru — CID 139163521

About 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (PubChem CID 139163521) has the molecular formula C54H39Cl2N11O8Ru and a molecular weight of 1141.95 g/mol. Its IUPAC name is 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.

Molecular Properties

• Compound Name: 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
• PubChem CID: 139163521
• Molecular Formula: C54H39Cl2N11O8Ru
• Molecular Weight: 1141.95 g/mol
• Exact Mass: 1141.14
• IUPAC Name: 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
• SMILES: [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C34H23N7.2C10H8N2.2ClHO4.Ru/c1-5-17-35-26(9-1)30-21-25(22-31(39-30)27-10-2-6-18-36-27)23-13-15-24(16-14-23)34-40-32(28-11-3-7-19-37-28)33(41-34)29-12-4-8-20-38-29;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-22H,(H,40,41);2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: CEDJRGVWOTZJKG-UHFFFAOYSA-L
• XLogP: 2.16
• TPSA: 329.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.95
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

The IUPAC name of 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (CID 139163521) is 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.

What is the SMILES notation for 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

The canonical SMILES for 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccn5)c(-c5ccccn5)[nH]4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

The InChIKey is CEDJRGVWOTZJKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H23N7.2C10H8N2.2ClHO4.Ru/c1-5-17-35-26(9-1)30-21-25(22-31(39-30)27-10-2-6-18-36-27)23-13-15-24(16-14-23)34-40-32(28-11-3-7-19-37-28)33(41-34)29-12-4-8-20-38-29;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-22H,(H,40,41);2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2.

What are the key properties of 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?

4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate has a molecular weight of 1141.95 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4,5-dipyridin-2-yl-1H-imidazol-2-yl)phenyl]-2,6-dipyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is sourced from PubChem (CID 139163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).