2,4,6-tris(4-fluorophenyl)-1,3,5-triazine

C21H12F3N3 — CID 58752538

IUPAC2,4,6-tris(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H12F3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
InChIKeyNUHWHLSPHBVPKM-UHFFFAOYSA-N
MW363.34 g/mol
LogP5.29
Rot. Bonds3

About 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine

2,4,6-tris(4-fluorophenyl)-1,3,5-triazine (PubChem CID 58752538) has the molecular formula C21H12F3N3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-fluorophenyl)-1,3,5-triazine
PubChem CID58752538
Molecular FormulaC21H12F3N3
Molecular Weight363.34 g/mol
Exact Mass363.10
IUPAC Name2,4,6-tris(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H12F3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
InChIKeyNUHWHLSPHBVPKM-UHFFFAOYSA-N
XLogP5.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine (CID 58752538) is 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is NUHWHLSPHBVPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H.
What are the key properties of 2,4,6-tris(4-fluorophenyl)-1,3,5-triazine?
2,4,6-tris(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 363.34 g/mol, XLogP of 5.29, 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(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 58752538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).