7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline

C28H16F6N2 — CID 169293842

IUPAC7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
SMILESFC(F)(F)c1cc(-c2ccc3cc(-c4ccc(-c5ccccn5)cc4)cnc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H16F6N2/c29-27(30,31)23-12-21(13-24(15-23)28(32,33)34)19-8-9-20-11-22(16-36-26(20)14-19)17-4-6-18(7-5-17)25-3-1-2-10-35-25/h1-16H
InChIKeyAFTGDCGLWOXBAT-UHFFFAOYSA-N
MW494.44 g/mol
LogP8.67
Rot. Bonds3

About 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline

7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline (PubChem CID 169293842) has the molecular formula C28H16F6N2 and a molecular weight of 494.44 g/mol. Its IUPAC name is 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline.

Molecular Properties

Compound Name7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
PubChem CID169293842
Molecular FormulaC28H16F6N2
Molecular Weight494.44 g/mol
Exact Mass494.12
IUPAC Name7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
SMILESFC(F)(F)c1cc(-c2ccc3cc(-c4ccc(-c5ccccn5)cc4)cnc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H16F6N2/c29-27(30,31)23-12-21(13-24(15-23)28(32,33)34)19-8-9-20-11-22(16-36-26(20)14-19)17-4-6-18(7-5-17)25-3-1-2-10-35-25/h1-16H
InChIKeyAFTGDCGLWOXBAT-UHFFFAOYSA-N
XLogP8.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293936
7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
CID 169293501
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
CID 170295226
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane
CID 170294753
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
3-(6-quinolin-8-yl-3-pyridinyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293945

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
The IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline (CID 169293842) is 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline.
What is the SMILES notation for 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
The canonical SMILES for 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline is FC(F)(F)c1cc(-c2ccc3cc(-c4ccc(-c5ccccn5)cc4)cnc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
The InChIKey is AFTGDCGLWOXBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F6N2/c29-27(30,31)23-12-21(13-24(15-23)28(32,33)34)19-8-9-20-11-22(16-36-26(20)14-19)17-4-6-18(7-5-17)25-3-1-2-10-35-25/h1-16H.
What are the key properties of 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline has a molecular weight of 494.44 g/mol, XLogP of 8.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline is sourced from PubChem (CID 169293842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).