3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline

C29H17F6N — CID 171056228

IUPAC3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc(-c4cnc5ccccc5c4)cc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H17F6N/c30-28(31,32)25-14-23(15-26(16-25)29(33,34)35)20-9-5-18(6-10-20)19-7-11-21(12-8-19)24-13-22-3-1-2-4-27(22)36-17-24/h1-17H
InChIKeyILKGVTXBFXSORU-UHFFFAOYSA-N
MW493.45 g/mol
LogP9.27
Rot. Bonds3

About 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline

3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline (PubChem CID 171056228) has the molecular formula C29H17F6N and a molecular weight of 493.45 g/mol. Its IUPAC name is 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
PubChem CID171056228
Molecular FormulaC29H17F6N
Molecular Weight493.45 g/mol
Exact Mass493.13
IUPAC Name3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc(-c4cnc5ccccc5c4)cc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H17F6N/c30-28(31,32)25-14-23(15-26(16-25)29(33,34)35)20-9-5-18(6-10-20)19-7-11-21(12-8-19)24-13-22-3-1-2-4-27(22)36-17-24/h1-17H
InChIKeyILKGVTXBFXSORU-UHFFFAOYSA-N
XLogP9.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.45
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
CID 170295226
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293936
7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293842
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
CID 169293501
6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106513733

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline?
The IUPAC name of 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline (CID 171056228) is 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline?
The canonical SMILES for 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline is FC(F)(F)c1cc(-c2ccc(-c3ccc(-c4cnc5ccccc5c4)cc3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline?
The InChIKey is ILKGVTXBFXSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F6N/c30-28(31,32)25-14-23(15-26(16-25)29(33,34)35)20-9-5-18(6-10-20)19-7-11-21(12-8-19)24-13-22-3-1-2-4-27(22)36-17-24/h1-17H.
What are the key properties of 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline?
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline has a molecular weight of 493.45 g/mol, XLogP of 9.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline is sourced from PubChem (CID 171056228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).