2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine

C₃₁H₂₀N₆S₂ — CID 162673613

About 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine

2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine (PubChem CID 162673613) has the molecular formula C₃₁H₂₀N₆S₂ and a molecular weight of 540.68 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
• PubChem CID: 162673613
• Molecular Formula: C₃₁H₂₀N₆S₂
• Molecular Weight: 540.68 g/mol
• Exact Mass: 540.12
• IUPAC Name: 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
• SMILES: c1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc(-c6cccs6)s5)nn4)cc3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C31H20N6S2/c1-3-15-32-24(6-1)26-18-22(19-27(34-26)25-7-2-4-16-33-25)21-9-11-23(12-10-21)37-20-28(35-36-37)29-13-14-31(39-29)30-8-5-17-38-30/h1-20H
• InChIKey: HFRWMSSRFSFIGL-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 69.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.68
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine?

The IUPAC name of 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine (CID 162673613) is 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine.

What is the SMILES notation for 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine?

The canonical SMILES for 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine is c1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc(-c6cccs6)s5)nn4)cc3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine?

The InChIKey is HFRWMSSRFSFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N6S2/c1-3-15-32-24(6-1)26-18-22(19-27(34-26)25-7-2-4-16-33-25)21-9-11-23(12-10-21)37-20-28(35-36-37)29-13-14-31(39-29)30-8-5-17-38-30/h1-20H.

What are the key properties of 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine?

2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine has a molecular weight of 540.68 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 162673613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162673613 — identifiers, structure, computed properties (public domain)

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