4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine

C25H18N2 — CID 24750510

IUPAC4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
SMILESCc1ccc(C#Cc2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C25H18N2/c1-19-10-12-20(13-11-19)14-15-21-17-24(22-7-3-2-4-8-22)27-25(18-21)23-9-5-6-16-26-23/h2-13,16-18H,1H3
InChIKeyRIIMCTQPCCILFS-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.52
Rot. Bonds2

About 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine

4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine (PubChem CID 24750510) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
PubChem CID24750510
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine
SMILESCc1ccc(C#Cc2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C25H18N2/c1-19-10-12-20(13-11-19)14-15-21-17-24(22-7-3-2-4-8-22)27-25(18-21)23-9-5-6-16-26-23/h2-13,16-18H,1H3
InChIKeyRIIMCTQPCCILFS-UHFFFAOYSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-6-[2-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)ethynyl]-1,3,5-triazine
CID 24752664
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[3-[2-[4-[2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102407209
4-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837740
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]buta-1,3-diynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 10532429
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
4-[3,5-bis[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102498301
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]benzaldehyde
CID 102087871
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2-(4-methylphenyl)pyridine;silver
CID 121395993

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine?
The IUPAC name of 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine (CID 24750510) is 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine is Cc1ccc(C#Cc2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine?
The InChIKey is RIIMCTQPCCILFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-19-10-12-20(13-11-19)14-15-21-17-24(22-7-3-2-4-8-22)27-25(18-21)23-9-5-6-16-26-23/h2-13,16-18H,1H3.
What are the key properties of 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine?
4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 346.43 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)ethynyl]-2-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 24750510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).