1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline

C22H16F3N — CID 10405675

IUPAC1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline
SMILESFC(F)(F)C1C=C(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C22H16F3N/c23-22(24,25)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)26(21)17-11-5-2-6-12-17/h1-15,21H
InChIKeyATJRGCWBZLYDQU-UHFFFAOYSA-N
MW351.37 g/mol
LogP6.20
Rot. Bonds2

About 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline

1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline (PubChem CID 10405675) has the molecular formula C22H16F3N and a molecular weight of 351.37 g/mol. Its IUPAC name is 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline.

Molecular Properties

Compound Name1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline
PubChem CID10405675
Molecular FormulaC22H16F3N
Molecular Weight351.37 g/mol
Exact Mass351.12
IUPAC Name1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline
SMILESFC(F)(F)C1C=C(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C22H16F3N/c23-22(24,25)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)26(21)17-11-5-2-6-12-17/h1-15,21H
InChIKeyATJRGCWBZLYDQU-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084
1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one
CID 11719397
2-methyl-1,4-diphenyl-2H-pyrrol-5-one
CID 174901051
2-ethoxy-1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 118429258
2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane
CID 91590341
5-phenyl-6H-phenanthridine-6-carbaldehyde
CID 174725973
13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene
CID 157423082
1-methyl-2-methylidene-4-phenylquinoline
CID 14963015
(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]
CID 10785134
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol
CID 162578409
8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine
CID 130250021

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline?
The IUPAC name of 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline (CID 10405675) is 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline.
What is the SMILES notation for 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline?
The canonical SMILES for 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline is FC(F)(F)C1C=C(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline?
The InChIKey is ATJRGCWBZLYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N/c23-22(24,25)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)26(21)17-11-5-2-6-12-17/h1-15,21H.
What are the key properties of 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline?
1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline has a molecular weight of 351.37 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline is sourced from PubChem (CID 10405675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).