4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine

C23H15F3N2 — CID 102598821

IUPAC4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C23H15F3N2/c24-23(25,26)20-11-9-16(10-12-20)18-7-4-8-19(15-18)22-27-14-13-21(28-22)17-5-2-1-3-6-17/h1-15H
InChIKeyXYIOECJPBDBUSG-UHFFFAOYSA-N
MW376.38 g/mol
LogP6.50
Rot. Bonds3

About 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine

4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine (PubChem CID 102598821) has the molecular formula C23H15F3N2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
PubChem CID102598821
Molecular FormulaC23H15F3N2
Molecular Weight376.38 g/mol
Exact Mass376.12
IUPAC Name4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C23H15F3N2/c24-23(25,26)20-11-9-16(10-12-20)18-7-4-8-19(15-18)22-27-14-13-21(28-22)17-5-2-1-3-6-17/h1-15H
InChIKeyXYIOECJPBDBUSG-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azd-3839
CID 46202416
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
4-(4-Phenylphenyl)pyrimidine
CID 817541
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 24821287
2,5-Diphenylpyrimidine
CID 755305
2-Benzyl-4-methylpyrimidine
CID 915660

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine (CID 102598821) is 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine is FC(F)(F)c1ccc(-c2cccc(-c3nccc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
The InChIKey is XYIOECJPBDBUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2/c24-23(25,26)20-11-9-16(10-12-20)18-7-4-8-19(15-18)22-27-14-13-21(28-22)17-5-2-1-3-6-17/h1-15H.
What are the key properties of 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine has a molecular weight of 376.38 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 102598821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).