3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine

C26H16N2 — CID 71527861

IUPAC3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
SMILESC(#Cc1cccnc1)c1ccc(-c2ccc(C#Cc3cccnc3)cc2)cc1
InChIInChI=1S/C26H16N2/c1-3-23(19-27-17-1)7-5-21-9-13-25(14-10-21)26-15-11-22(12-16-26)6-8-24-4-2-18-28-20-24/h1-4,9-20H
InChIKeyHFIQUOBIEKMZLG-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.94
Rot. Bonds1

About 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine

3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine (PubChem CID 71527861) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine.

Molecular Properties

Compound Name3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
PubChem CID71527861
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
SMILESC(#Cc1cccnc1)c1ccc(-c2ccc(C#Cc3cccnc3)cc2)cc1
InChIInChI=1S/C26H16N2/c1-3-23(19-27-17-1)7-5-21-9-13-25(14-10-21)26-15-11-22(12-16-26)6-8-24-4-2-18-28-20-24/h1-4,9-20H
InChIKeyHFIQUOBIEKMZLG-UHFFFAOYSA-N
XLogP4.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine?
The IUPAC name of 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine (CID 71527861) is 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine.
What is the SMILES notation for 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine?
The canonical SMILES for 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine is C(#Cc1cccnc1)c1ccc(-c2ccc(C#Cc3cccnc3)cc2)cc1.
What is the InChIKey of 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine?
The InChIKey is HFIQUOBIEKMZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-3-23(19-27-17-1)7-5-21-9-13-25(14-10-21)26-15-11-22(12-16-26)6-8-24-4-2-18-28-20-24/h1-4,9-20H.
What are the key properties of 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine?
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine has a molecular weight of 356.43 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine is sourced from PubChem (CID 71527861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).