3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine

C25H13N — CID 15911031

IUPAC3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine
SMILESC#Cc1cccc(C#Cc2cncc(C#Cc3cccc(C#C)c3)c2)c1
InChIInChI=1S/C25H13N/c1-3-20-7-5-9-22(15-20)11-13-24-17-25(19-26-18-24)14-12-23-10-6-8-21(4-2)16-23/h1-2,5-10,15-19H
InChIKeyFVQIVEKZMYPHOO-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.84
Rot. Bonds

About 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine

3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine (PubChem CID 15911031) has the molecular formula C25H13N and a molecular weight of 327.39 g/mol. Its IUPAC name is 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine
PubChem CID15911031
Molecular FormulaC25H13N
Molecular Weight327.39 g/mol
Exact Mass327.10
IUPAC Name3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine
SMILESC#Cc1cccc(C#Cc2cncc(C#Cc3cccc(C#C)c3)c2)c1
InChIInChI=1S/C25H13N/c1-3-20-7-5-9-22(15-20)11-13-24-17-25(19-26-18-24)14-12-23-10-6-8-21(4-2)16-23/h1-2,5-10,15-19H
InChIKeyFVQIVEKZMYPHOO-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.84
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

3-[2-[3,5-bis[2-(5-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]-5-ethynylpyridine
CID 143762177
1-ethynyl-3-ethynylbenzene
CID 102097172
5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol
CID 178145930
bis[2-(3-ethynylphenyl)ethynyl]-phenylsilane
CID 71349412
ethane;3-ethynylpyridine
CID 143766952
3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
CID 67047870
3-(1,2-13C2)ethynyl(13C2)aniline
CID 71308909
1-[2-(3-bromophenyl)ethynyl]-3-ethynyl-5-fluorobenzene
CID 143318422
3-[2-(3-ethynyl-5-fluorophenyl)ethynyl]aniline
CID 143318429
3-methyl-5-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridine;hydrochloride
CID 67048234
3-[2-(3-methylphenyl)ethynyl]pyridine
CID 67047652
3-[2-(3-cyanophenyl)ethynyl]benzonitrile
CID 12022275

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine?
The IUPAC name of 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine (CID 15911031) is 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine.
What is the SMILES notation for 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine?
The canonical SMILES for 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine is C#Cc1cccc(C#Cc2cncc(C#Cc3cccc(C#C)c3)c2)c1.
What is the InChIKey of 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine?
The InChIKey is FVQIVEKZMYPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13N/c1-3-20-7-5-9-22(15-20)11-13-24-17-25(19-26-18-24)14-12-23-10-6-8-21(4-2)16-23/h1-2,5-10,15-19H.
What are the key properties of 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine?
3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine has a molecular weight of 327.39 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(3-ethynylphenyl)ethynyl]pyridine is sourced from PubChem (CID 15911031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).