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

C42H24F9N3 — CID 102289993

IUPAC2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)n2)c1
InChIInChI=1S/C42H24F9N3/c43-40(44,45)34-19-4-1-16-31(34)25-10-7-13-28(22-25)37-52-38(29-14-8-11-26(23-29)32-17-2-5-20-35(32)41(46,47)48)54-39(53-37)30-15-9-12-27(24-30)33-18-3-6-21-36(33)42(49,50)51/h1-24H
InChIKeyUWKHFKFFSBTWCH-UHFFFAOYSA-N
MW741.66 g/mol
LogP12.93
Rot. Bonds6

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

2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 102289993) has the molecular formula C42H24F9N3 and a molecular weight of 741.66 g/mol. Its IUPAC name is 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID102289993
Molecular FormulaC42H24F9N3
Molecular Weight741.66 g/mol
Exact Mass741.18
IUPAC Name2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)n2)c1
InChIInChI=1S/C42H24F9N3/c43-40(44,45)34-19-4-1-16-31(34)25-10-7-13-28(22-25)37-52-38(29-14-8-11-26(23-29)32-17-2-5-20-35(32)41(46,47)48)54-39(53-37)30-15-9-12-27(24-30)33-18-3-6-21-36(33)42(49,50)51/h1-24H
InChIKeyUWKHFKFFSBTWCH-UHFFFAOYSA-N
XLogP12.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.66
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (CID 102289993) is 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is FC(F)(F)c1ccccc1-c1cccc(-c2nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)nc(-c3cccc(-c4ccccc4C(F)(F)F)c3)n2)c1.
What is the InChIKey of 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is UWKHFKFFSBTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F9N3/c43-40(44,45)34-19-4-1-16-31(34)25-10-7-13-28(22-25)37-52-38(29-14-8-11-26(23-29)32-17-2-5-20-35(32)41(46,47)48)54-39(53-37)30-15-9-12-27(24-30)33-18-3-6-21-36(33)42(49,50)51/h1-24H.
What are the key properties of 2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
2,4,6-tris[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 741.66 g/mol, XLogP of 12.93, 6 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-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 102289993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).