2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine

C21H11F4N3 — CID 138569840

IUPAC2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3F)n2)c(F)c1
InChIInChI=1S/C21H11F4N3/c22-13-6-8-15(17(24)10-13)20-26-19(12-4-2-1-3-5-12)27-21(28-20)16-9-7-14(23)11-18(16)25/h1-11H
InChIKeyNCTOFCMHWJVLOE-UHFFFAOYSA-N
MW381.33 g/mol
LogP5.43
Rot. Bonds3

About 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine

2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine (PubChem CID 138569840) has the molecular formula C21H11F4N3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
PubChem CID138569840
Molecular FormulaC21H11F4N3
Molecular Weight381.33 g/mol
Exact Mass381.09
IUPAC Name2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3F)n2)c(F)c1
InChIInChI=1S/C21H11F4N3/c22-13-6-8-15(17(24)10-13)20-26-19(12-4-2-1-3-5-12)27-21(28-20)16-9-7-14(23)11-18(16)25/h1-11H
InChIKeyNCTOFCMHWJVLOE-UHFFFAOYSA-N
XLogP5.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.33
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142748845
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
2-(4-bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
9-[5-(2,4-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565721
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
9-[4-(2,4-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 138565422
2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine
CID 167227635
9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565727
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-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine (CID 138569840) is 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3F)n2)c(F)c1.
What is the InChIKey of 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is NCTOFCMHWJVLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F4N3/c22-13-6-8-15(17(24)10-13)20-26-19(12-4-2-1-3-5-12)27-21(28-20)16-9-7-14(23)11-18(16)25/h1-11H.
What are the key properties of 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 381.33 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138569840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).