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

C38H30F6N8RuS — CID 140578643

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

2,6-dipyridin-2-ylpyridine;4-(5-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (PubChem CID 140578643) has the molecular formula C38H30F6N8RuS and a molecular weight of 845.84 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;4-(5-hexylthiophen-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-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• PubChem CID: 140578643
• Molecular Formula: C38H30F6N8RuS
• Molecular Weight: 845.84 g/mol
• Exact Mass: 846.13
• IUPAC Name: 2,6-dipyridin-2-ylpyridine;4-(5-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• SMILES: CCCCCCc1ccc(-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/C23H19F6N5S.C15H11N3.Ru/c1-2-3-4-5-6-14-7-8-19(35-14)13-9-15(17-11-20(33-31-17)22(24,25)26)30-16(10-13)18-12-21(34-32-18)23(27,28)29;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h7-12H,2-6H2,1H3;1-11H;/q-2;;+2
• InChIKey: LHAZZBCCPVWXRG-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 105.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.84
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(5-hexylthiophen-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-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (CID 140578643) is 2,6-dipyridin-2-ylpyridine;4-(5-hexylthiophen-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-hexylthiophen-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-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is CCCCCCc1ccc(-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-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The InChIKey is LHAZZBCCPVWXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N5S.C15H11N3.Ru/c1-2-3-4-5-6-14-7-8-19(35-14)13-9-15(17-11-20(33-31-17)22(24,25)26)30-16(10-13)18-12-21(34-32-18)23(27,28)29;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;/h7-12H,2-6H2,1H3;1-11H;/q-2;;+2.

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

2,6-dipyridin-2-ylpyridine;4-(5-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) has a molecular weight of 845.84 g/mol, XLogP of 10.21, 10 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-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is sourced from PubChem (CID 140578643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).