1,3,5-Tri(pyridin-4-yl)benzene - ≥97% , CAS No.170165-84-1

CAS: 170165-84-1 Cat. No.: T587625 Molecular Weight: 309.36 EC Number: 881-252-6 PubChem CID: 12984580

GRADE & PURITY ≥97%

Synonyms

1,3,5-trispyridylbenzene;Pyridine, 4,4',4''-(1,3,5-benzenetriyl)tris- | J-400094 | Pyridine, 4,4',4''-(1,3,5-benzenetriyl)tris- | 1,3,5-trispyridylbenzene | AC4685 | MFCD29049593 | 4-(3,5-dipyridin-4-ylphenyl)pyridine | SCHEMBL445671 | YSZC500 | 1,3,5-Tri

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3, 5-trispyridylbenzene;Pyridine, 4, 4', 4''-(1, 3, 5-benzenetriyl)tris- | J-400094 | Pyridine, 4, 4', 4''-(1, 3, 5-benzenetriyl)tris- | 1, 3, 5-trispyridylbenzene | AC4685 | MFCD29049593 | 4-(3, 5-dipyridin-4-ylphenyl)pyridine | SCHEMBL445671 | YSZC500 | 1, 3, 5-Tri

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CN=CC=C1C2=CC(=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4
• IUPAC Name: 4-(3,5-dipyridin-4-ylphenyl)pyridine
• InChIKey: ZMQLKBAJUGKDDO-UHFFFAOYSA-N
• INCHI: 1S/C21H15N3/c1-7-22-8-2-16(1)19-13-20(17-3-9-23-10-4-17)15-21(14-19)18-5-11-24-12-6-18/h1-15H
• Isomeric SMILES: C1=CN=CC=C1C2=CC(=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4
• PubChem CID: 12984580
• Molecular Weight: 309.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 309.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 309.127 Da
• Monoisotopic Mass: 309.127 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Fangqin Wang, Wenrong Cai, Lilan Tan, Junyao Li, Datong Wu, Yong Kong.  (2024)  A Liquid–Liquid Interfacial Strategy for Construction of Electroactive Chiral Covalent–Organic Frameworks with the Aim to Enlarge the Testing Scope of Chiral Electroanalysis.  ANALYTICAL CHEMISTRY,      [PMID:38335728] [10.1021/acs.analchem.3c05744]

2. Lilan Tan, Wenrong Cai, Fangqin Wang, Junyao Li, Datong Wu, Yong Kong.  (2024)  Postsynthetic Modification Strategy for Constructing Electrochemiluminescence-Active Chiral Covalent Organic Frameworks Performing Efficient Enantioselective Sensing.  ANALYTICAL CHEMISTRY,      [PMID:38394220] [10.1021/acs.analchem.3c05887]