2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine

C20H12F2N4 — CID 167227635

IUPAC2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)n1
InChIInChI=1S/C20H12F2N4/c21-16-12-11-15(17(22)23-16)20-25-18(13-7-3-1-4-8-13)24-19(26-20)14-9-5-2-6-10-14/h1-12H
InChIKeyOFNWBIBAKHCWQG-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.55
Rot. Bonds3

About 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine

2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 167227635) has the molecular formula C20H12F2N4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID167227635
Molecular FormulaC20H12F2N4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)n1
InChIInChI=1S/C20H12F2N4/c21-16-12-11-15(17(22)23-16)20-25-18(13-7-3-1-4-8-13)24-19(26-20)14-9-5-2-6-10-14/h1-12H
InChIKeyOFNWBIBAKHCWQG-UHFFFAOYSA-N
XLogP4.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
6-fluoro-2-iodo-3-phenylpyridine
CID 130785698
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
2-(4-bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 138579162
2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142748845
2-[5-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]phenyl]phenyl]-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 154967458
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-(3-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155151397
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine (CID 167227635) is 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)n1.
What is the InChIKey of 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OFNWBIBAKHCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4/c21-16-12-11-15(17(22)23-16)20-25-18(13-7-3-1-4-8-13)24-19(26-20)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine?
2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 346.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167227635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).