2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine

C24H12F9N3 — CID 154926588

IUPAC2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C24H12F9N3/c25-22(26,27)16-7-1-4-13(10-16)19-34-20(14-5-2-8-17(11-14)23(28,29)30)36-21(35-19)15-6-3-9-18(12-15)24(31,32)33/h1-12H
InChIKeyMUSRVBZQYYXCHT-UHFFFAOYSA-N
MW513.36 g/mol
LogP7.93
Rot. Bonds3

About 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine

2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 154926588) has the molecular formula C24H12F9N3 and a molecular weight of 513.36 g/mol. Its IUPAC name is 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID154926588
Molecular FormulaC24H12F9N3
Molecular Weight513.36 g/mol
Exact Mass513.09
IUPAC Name2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C24H12F9N3/c25-22(26,27)16-7-1-4-13(10-16)19-34-20(14-5-2-8-17(11-14)23(28,29)30)36-21(35-19)15-6-3-9-18(12-15)24(31,32)33/h1-12H
InChIKeyMUSRVBZQYYXCHT-UHFFFAOYSA-N
XLogP7.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.36
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Kyaphenine
CID 10305
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
2-Chloro-4,6-diphenyl-1,3,5-triazine
CID 19698
2,4-Diamino-6-(3-(trifluoromethyl)phenyl)-1,3,5-triazine
CID 2782201
2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
Tris-biphenyl triazine
CID 11628027
2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
CID 30851
6-[4-(Trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2782215
2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 15850059
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 154926588) is 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine is FC(F)(F)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is MUSRVBZQYYXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F9N3/c25-22(26,27)16-7-1-4-13(10-16)19-34-20(14-5-2-8-17(11-14)23(28,29)30)36-21(35-19)15-6-3-9-18(12-15)24(31,32)33/h1-12H.
What are the key properties of 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine?
2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 513.36 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[3-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 154926588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).