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

C31H20N6S2 — CID 162673613

IUPAC2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc(-c6cccs6)s5)nn4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=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
InChIKeyHFRWMSSRFSFIGL-UHFFFAOYSA-N
MW540.68 g/mol
LogP7.91
Rot. Bonds6

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 Name2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
PubChem CID162673613
Molecular FormulaC31H20N6S2
Molecular Weight540.68 g/mol
Exact Mass540.12
IUPAC Name2,6-dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-n4cc(-c5ccc(-c6cccs6)s5)nn4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=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
InChIKeyHFRWMSSRFSFIGL-UHFFFAOYSA-N
XLogP7.91
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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).