2,4-diphenyl-3-(2-phenylethynyl)pyridine

C25H17N — CID 139203994

IUPAC2,4-diphenyl-3-(2-phenylethynyl)pyridine
SMILESC(#Cc1c(-c2ccccc2)ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H17N/c1-4-10-20(11-5-1)16-17-24-23(21-12-6-2-7-13-21)18-19-26-25(24)22-14-8-3-9-15-22/h1-15,18-19H
InChIKeyXMNPUMVKKIUOJZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.82
Rot. Bonds2

About 2,4-diphenyl-3-(2-phenylethynyl)pyridine

2,4-diphenyl-3-(2-phenylethynyl)pyridine (PubChem CID 139203994) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,4-diphenyl-3-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name2,4-diphenyl-3-(2-phenylethynyl)pyridine
PubChem CID139203994
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name2,4-diphenyl-3-(2-phenylethynyl)pyridine
SMILESC(#Cc1c(-c2ccccc2)ccnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H17N/c1-4-10-20(11-5-1)16-17-24-23(21-12-6-2-7-13-21)18-19-26-25(24)22-14-8-3-9-15-22/h1-15,18-19H
InChIKeyXMNPUMVKKIUOJZ-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
2,4-diphenylpyridine-3-carboxamide
CID 21157292
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
[4-(3-methyl-4-phenyl-2-pyridinyl)phenyl]methanamine
CID 135146926
2-(2-phenylethynyl)azulene
CID 139039957
2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
CID 70704184
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridinyl]pyridine
CID 102151582
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane
CID 144617182

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-(2-phenylethynyl)pyridine?
The IUPAC name of 2,4-diphenyl-3-(2-phenylethynyl)pyridine (CID 139203994) is 2,4-diphenyl-3-(2-phenylethynyl)pyridine.
What is the SMILES notation for 2,4-diphenyl-3-(2-phenylethynyl)pyridine?
The canonical SMILES for 2,4-diphenyl-3-(2-phenylethynyl)pyridine is C(#Cc1c(-c2ccccc2)ccnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-(2-phenylethynyl)pyridine?
The InChIKey is XMNPUMVKKIUOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N/c1-4-10-20(11-5-1)16-17-24-23(21-12-6-2-7-13-21)18-19-26-25(24)22-14-8-3-9-15-22/h1-15,18-19H.
What are the key properties of 2,4-diphenyl-3-(2-phenylethynyl)pyridine?
2,4-diphenyl-3-(2-phenylethynyl)pyridine has a molecular weight of 331.42 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-(2-phenylethynyl)pyridine is sourced from PubChem (CID 139203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).