2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

C40H32F6N8O2RuS — CID 140578644

About 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (PubChem CID 140578644) has the molecular formula C40H32F6N8O2RuS and a molecular weight of 903.87 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+).

Molecular Properties

• Compound Name: 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• PubChem CID: 140578644
• Molecular Formula: C40H32F6N8O2RuS
• Molecular Weight: 903.87 g/mol
• Exact Mass: 904.13
• IUPAC Name: 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• SMILES: CCCCCCc1sc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)c2c1OCCO2.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C25H21F6N5O2S.C15H11N3.Ru/c1-2-3-4-5-6-18-21-22(38-8-7-37-21)23(39-18)13-9-14(16-11-19(35-33-16)24(26,27)28)32-15(10-13)17-12-20(36-34-17)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;/h9-12H,2-8H2,1H3;1-11H;/q-2;;+2
• InChIKey: PJNXTJNFTMBFGR-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 124.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.87
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The IUPAC name of 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (CID 140578644) is 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-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-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The canonical SMILES for 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is CCCCCCc1sc(-c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)c2c1OCCO2.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The InChIKey is PJNXTJNFTMBFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N5O2S.C15H11N3.Ru/c1-2-3-4-5-6-18-21-22(38-8-7-37-21)23(39-18)13-9-14(16-11-19(35-33-16)24(26,27)28)32-15(10-13)17-12-20(36-34-17)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;/h9-12H,2-8H2,1H3;1-11H;/q-2;;+2.

What are the key properties of 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) has a molecular weight of 903.87 g/mol, XLogP of 9.98, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dipyridin-2-ylpyridine;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is sourced from PubChem (CID 140578644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).