2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile

C23H14FN3 — CID 142753884

IUPAC2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H14FN3/c24-19-11-12-20(18(13-19)15-25)23-26-21(16-7-3-1-4-8-16)14-22(27-23)17-9-5-2-6-10-17/h1-14H
InChIKeyRTQQHXQTCWUFIM-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.49
Rot. Bonds3

About 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile

2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile (PubChem CID 142753884) has the molecular formula C23H14FN3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
PubChem CID142753884
Molecular FormulaC23H14FN3
Molecular Weight351.38 g/mol
Exact Mass351.12
IUPAC Name2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H14FN3/c24-19-11-12-20(18(13-19)15-25)23-26-21(16-7-3-1-4-8-16)14-22(27-23)17-9-5-2-6-10-17/h1-14H
InChIKeyRTQQHXQTCWUFIM-UHFFFAOYSA-N
XLogP5.49
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
3-chloro-5-(4,6-diphenylpyrimidin-2-yl)-4-fluorobenzonitrile
CID 138555645
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
5-[3-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]quinoxalin-2-yl]naphthalene-1-carbonitrile
CID 147840733
2-(2-bromo-5-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 107923936
2-iodo-6-phenylpyridine-3,4-dicarbonitrile
CID 45123386
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-[3-(4,6-diphenylpyrimidin-2-yl)-2,4,5,6-tetrafluorophenyl]-4,6-diphenylpyrimidine
CID 142508203
3-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4-fluorobenzonitrile
CID 138515632

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile?
The IUPAC name of 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile (CID 142753884) is 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile?
The InChIKey is RTQQHXQTCWUFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3/c24-19-11-12-20(18(13-19)15-25)23-26-21(16-7-3-1-4-8-16)14-22(27-23)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile?
2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile has a molecular weight of 351.38 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 142753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).