4,4'-[(2-Methyl-1,3-phenylene)di-2,1-ethynediyl]dipyridine (CHEBI:188542)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4,4'-[(2-Methyl-1,3-phenylene)di-2,1-ethynediyl]dipyridine

ChEBI ID	CHEBI:188542

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H14N2

Net Charge

Average Mass

294.357

Monoisotopic Mass

294.11570

InChI

InChI=1S/C21H14N2/c1-17-20(7-5-18-9-13-22-14-10-18)3-2-4-21(17)8-6-19-11-15-23-16-12-19/h2-4,9-16H,1H3

InChIKey

XZBXDOGIIUDHHR-UHFFFAOYSA-N

SMILES

N1=CC=C(C#CC2=C(C(=CC=C2)C#CC3=CC=NC=C3)C)C=C1

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

ChEBI Ontology
Outgoing	4,4'-[(2-Methyl-1,3-phenylene)di-2,1-ethynediyl]dipyridine (CHEBI:188542) is a toluenes (CHEBI:27024)

IUPAC Name

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