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

C21H14FN3 — CID 15850059

IUPAC2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H14FN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H
InChIKeyDEFTZOFCLNDIMR-UHFFFAOYSA-N
MW327.36 g/mol
LogP5.01
Rot. Bonds3

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

2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 15850059) has the molecular formula C21H14FN3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID15850059
Molecular FormulaC21H14FN3
Molecular Weight327.36 g/mol
Exact Mass327.12
IUPAC Name2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H14FN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H
InChIKeyDEFTZOFCLNDIMR-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (CID 15850059) is 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DEFTZOFCLNDIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 327.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 15850059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).