2,4,6-Tri(4-pyridyl)-1,3,5-triazine (purified by sublimation) - ≥97%(N) , CAS No.42333-78-8

CAS: 42333-78-8 Cat. No.: T162404 Molecular Weight: 312.34 EC Number: 678-255-8

GRADE & PURITY ≥97%(N)

Synonyms

10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | doi:10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | DTXSID30195150 | L-Dipalmitoyl lecithin | T1937 | 1,3,5-Triazine,2,4,6-tri-4-pyridinyl- | 2,6-TRI-4-PYRIDINYL-1,3,5-TRIAZINE | 2,4,6-(Tris-4-pyridyl)-1,3,5-triazine | 2,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | doi:10.14272/CBMYFVSIIYILRH-UHFFFAOYSA-N.3 | DTXSID30195150 | L-Dipalmitoyl lecithin | T1937 | 1, 3, 5-Triazine, 2, 4, 6-tri-4-pyridinyl- | 2, 6-TRI-4-PYRIDINYL-1, 3, 5-TRIAZINE | 2, 4, 6-(Tris-4-pyridyl)-1, 3, 5-triazine | 2,

Specifications & Purity

≥97%(N)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(N)

Names and Identifiers

• Pubchem Sid: 504758454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758454
• Canonical Smiles: C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
• IUPAC Name: 2,4,6-tripyridin-4-yl-1,3,5-triazine
• InChIKey: CBMYFVSIIYILRH-UHFFFAOYSA-N
• INCHI: 1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H
• Isomeric SMILES: C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4
• Molecular Weight: 312.34
• Reaxy-Rn: 1221848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1221848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,5-triazine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
• 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: 312.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 312.112 Da
• Monoisotopic Mass: 312.112 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 305.000
• 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. Rui-Ling Zhang, Yang Yang, Song-Qiu Yang, Ke-Li Han.  (2017)  Unveiling excited state energy transfer and charge transfer in a host/guest coordination cage.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,  20  (4): (2205-2210).  [PMID:29264601] [10.1039/C7CP06577A]

2. Wu Xilu, Bao Bingwei, Bai Zhiyuan, Fan Qingchao, Hou Chengyi, Zhang Qinghong, Li Yaogang, Jiang Weizhong, Li Kerui, Wang Hongzhi.  (2025)  Heteroaromatic π-stacking engineered near-infrared absorption for highly stable near-zero transmittance electrochromic window.  Nature Communications,  16  (1): (9964).  [PMID:41224758] [10.1038/s41467-025-64955-1]