2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

C40H34F6N8RuS — CID 140578649

About 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (PubChem CID 140578649) has the molecular formula C40H34F6N8RuS and a molecular weight of 873.89 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+).

Molecular Properties

• Compound Name: 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• PubChem CID: 140578649
• Molecular Formula: C40H34F6N8RuS
• Molecular Weight: 873.89 g/mol
• Exact Mass: 874.16
• IUPAC Name: 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• SMILES: CCCCC(CC)Cc1ccc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C25H23F6N5S.C15H11N3.Ru/c1-3-5-6-14(4-2)9-16-7-8-21(37-16)15-10-17(19-12-22(35-33-19)24(26,27)28)32-18(11-15)20-13-23(36-34-20)25(29,30)31;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h7-8,10-14H,3-6,9H2,1-2H3;1-11H;/q-2;;+2
• InChIKey: ZBRLBWLBMBLNRW-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 105.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.89
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The IUPAC name of 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (CID 140578649) is 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+).

What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The canonical SMILES for 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is CCCCC(CC)Cc1ccc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The InChIKey is ZBRLBWLBMBLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N5S.C15H11N3.Ru/c1-3-5-6-14(4-2)9-16-7-8-21(37-16)15-10-17(19-12-22(35-33-19)24(26,27)28)32-18(11-15)20-13-23(36-34-20)25(29,30)31;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h7-8,10-14H,3-6,9H2,1-2H3;1-11H;/q-2;;+2.

What are the key properties of 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) has a molecular weight of 873.89 g/mol, XLogP of 10.85, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dipyridin-2-ylpyridine;4-[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is sourced from PubChem (CID 140578649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).