4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline

C28H20F3NS — CID 90827932

IUPAC4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(-c3ccccc3)c(C(Cc3ccccc3)c3cccs3)cnc12
InChIInChI=1S/C28H20F3NS/c29-28(30,31)24-14-7-13-21-26(20-11-5-2-6-12-20)23(18-32-27(21)24)22(25-15-8-16-33-25)17-19-9-3-1-4-10-19/h1-16,18,22H,17H2
InChIKeyBLXIHQCLYJGVLS-UHFFFAOYSA-N
MW459.54 g/mol
LogP8.36
Rot. Bonds5

About 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline

4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline (PubChem CID 90827932) has the molecular formula C28H20F3NS and a molecular weight of 459.54 g/mol. Its IUPAC name is 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline
PubChem CID90827932
Molecular FormulaC28H20F3NS
Molecular Weight459.54 g/mol
Exact Mass459.13
IUPAC Name4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(-c3ccccc3)c(C(Cc3ccccc3)c3cccs3)cnc12
InChIInChI=1S/C28H20F3NS/c29-28(30,31)24-14-7-13-21-26(20-11-5-2-6-12-20)23(18-32-27(21)24)22(25-15-8-16-33-25)17-19-9-3-1-4-10-19/h1-16,18,22H,17H2
InChIKeyBLXIHQCLYJGVLS-UHFFFAOYSA-N
XLogP8.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 66914336
3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol
CID 58046084
phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 11429019
N-benzyl-3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylaniline
CID 141120011
3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
CID 66914038
[3-[2-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-5-yl]phenyl]methanesulfinate
CID 174598824
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 90749427
3-methyl-3-phenylbutanal;4-phenyl-3-(2-phenylpropan-2-yl)-8-(trifluoromethyl)quinoline
CID 158622343
N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914315
[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-[2-(trifluoromethoxy)phenyl]methanamine
CID 87202430
4-[3-(2-phenylethylamino)phenyl]-8-(trifluoromethyl)quinoline-3-carbaldehyde
CID 87585136
2-[chloro-[2-(trifluoromethyl)phenyl]methyl]thiophene
CID 61084544

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline (CID 90827932) is 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2c(-c3ccccc3)c(C(Cc3ccccc3)c3cccs3)cnc12.
What is the InChIKey of 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline?
The InChIKey is BLXIHQCLYJGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3NS/c29-28(30,31)24-14-7-13-21-26(20-11-5-2-6-12-20)23(18-32-27(21)24)22(25-15-8-16-33-25)17-19-9-3-1-4-10-19/h1-16,18,22H,17H2.
What are the key properties of 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline?
4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline has a molecular weight of 459.54 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2-phenyl-1-thiophen-2-ylethyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 90827932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).