4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile

C20H12F3N — CID 138675545

IUPAC4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H12F3N/c21-20(22,23)19-12-14(13-24)10-11-18(19)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-12H
InChIKeyLVAUXBWEJLTJAB-UHFFFAOYSA-N
MW323.32 g/mol
LogP5.91
Rot. Bonds2

About 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile

4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile (PubChem CID 138675545) has the molecular formula C20H12F3N and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
PubChem CID138675545
Molecular FormulaC20H12F3N
Molecular Weight323.32 g/mol
Exact Mass323.09
IUPAC Name4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H12F3N/c21-20(22,23)19-12-14(13-24)10-11-18(19)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-12H
InChIKeyLVAUXBWEJLTJAB-UHFFFAOYSA-N
XLogP5.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.32
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
CID 126496747
4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile
CID 165178293
4-fluoro-3-phenylbenzonitrile
CID 46314741
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
CID 142414266
4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile
CID 122431307
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-difluorobenzonitrile
CID 142414168
1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 67016587
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 138486696
3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynal
CID 169162699
3-[5-isocyano-2-(2-phenylphenyl)phenyl]-4-(2-phenylphenyl)benzonitrile
CID 58947599
4-tert-butyl-3-phenylbenzonitrile
CID 90264086

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile (CID 138675545) is 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(-c2ccccc2-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is LVAUXBWEJLTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N/c21-20(22,23)19-12-14(13-24)10-11-18(19)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-12H.
What are the key properties of 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile?
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 323.32 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 138675545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).