3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile

C22H13FN4 — CID 134476233

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H13FN4/c23-19-12-11-15(14-24)13-18(19)22-26-20(16-7-3-1-4-8-16)25-21(27-22)17-9-5-2-6-10-17/h1-13H
InChIKeyTYXJFLNLPAAJMJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.88
Rot. Bonds3

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile (PubChem CID 134476233) has the molecular formula C22H13FN4 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
PubChem CID134476233
Molecular FormulaC22H13FN4
Molecular Weight352.37 g/mol
Exact Mass352.11
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H13FN4/c23-19-12-11-15(14-24)13-18(19)22-26-20(16-7-3-1-4-8-16)25-21(27-22)17-9-5-2-6-10-17/h1-13H
InChIKeyTYXJFLNLPAAJMJ-UHFFFAOYSA-N
XLogP4.88
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4-fluorobenzonitrile
CID 138515632
4-fluoro-3-phenylbenzonitrile
CID 46314741
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 169297037
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142748845
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
4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
CID 138498827
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169
4-[4-(4-cyano-3,5-difluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorobenzonitrile
CID 163289957
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile (CID 134476233) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile is N#Cc1ccc(F)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile?
The InChIKey is TYXJFLNLPAAJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4/c23-19-12-11-15(14-24)13-18(19)22-26-20(16-7-3-1-4-8-16)25-21(27-22)17-9-5-2-6-10-17/h1-13H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile has a molecular weight of 352.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile is sourced from PubChem (CID 134476233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).