2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline

C28H18F3NO — CID 102142708

IUPAC2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H18F3NO/c29-28(30,31)33-22-17-15-20(16-18-22)25-23-13-7-8-14-24(23)32-27(21-11-5-2-6-12-21)26(25)19-9-3-1-4-10-19/h1-18H
InChIKeyUYUNJIMNSWXPMC-UHFFFAOYSA-N
MW441.45 g/mol
LogP8.13
Rot. Bonds4

About 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline

2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline (PubChem CID 102142708) has the molecular formula C28H18F3NO and a molecular weight of 441.45 g/mol. Its IUPAC name is 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline.

Molecular Properties

Compound Name2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline
PubChem CID102142708
Molecular FormulaC28H18F3NO
Molecular Weight441.45 g/mol
Exact Mass441.13
IUPAC Name2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H18F3NO/c29-28(30,31)33-22-17-15-20(16-18-22)25-23-13-7-8-14-24(23)32-27(21-11-5-2-6-12-21)26(25)19-9-3-1-4-10-19/h1-18H
InChIKeyUYUNJIMNSWXPMC-UHFFFAOYSA-N
XLogP8.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-2-Phenylquinoline
CID 826247
Acridine, 9-(p-anisidino)-
CID 43640
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
6-Methoxyquinaldine
CID 70648
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
4-[1-(4-Methoxyphenyl)ethenyl]quinoline-2-carbonitrile
CID 118443998
2-[2-(2,4-Dimethoxyphenyl)vinyl]quinoline
CID 5937428

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline?
The IUPAC name of 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline (CID 102142708) is 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline.
What is the SMILES notation for 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline?
The canonical SMILES for 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline is FC(F)(F)Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline?
The InChIKey is UYUNJIMNSWXPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F3NO/c29-28(30,31)33-22-17-15-20(16-18-22)25-23-13-7-8-14-24(23)32-27(21-11-5-2-6-12-21)26(25)19-9-3-1-4-10-19/h1-18H.
What are the key properties of 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline?
2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline has a molecular weight of 441.45 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-4-[4-(trifluoromethoxy)phenyl]quinoline is sourced from PubChem (CID 102142708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).