7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline

C29H15F9N2 — CID 169293501

IUPAC7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cnc4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c3)cn2)cc1
InChIInChI=1S/C29H15F9N2/c30-27(31,32)22-6-3-16(4-7-22)25-8-5-19(14-39-25)21-9-18-2-1-17(12-26(18)40-15-21)20-10-23(28(33,34)35)13-24(11-20)29(36,37)38/h1-15H
InChIKeySNHKQLDQFWVLCA-UHFFFAOYSA-N
MW562.44 g/mol
LogP9.69
Rot. Bonds3

About 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline

7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline (PubChem CID 169293501) has the molecular formula C29H15F9N2 and a molecular weight of 562.44 g/mol. Its IUPAC name is 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
PubChem CID169293501
Molecular FormulaC29H15F9N2
Molecular Weight562.44 g/mol
Exact Mass562.11
IUPAC Name7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cnc4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c3)cn2)cc1
InChIInChI=1S/C29H15F9N2/c30-27(31,32)22-6-3-16(4-7-22)25-8-5-19(14-39-25)21-9-18-2-1-17(12-26(18)40-15-21)20-10-23(28(33,34)35)13-24(11-20)29(36,37)38/h1-15H
InChIKeySNHKQLDQFWVLCA-UHFFFAOYSA-N
XLogP9.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.44
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(4-pyridin-2-ylphenyl)quinoline
CID 169293842
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
[4-[5-[7-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-2-pyridinyl]phenyl]-trimethylsilane
CID 169294031
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
3-(6-quinolin-8-yl-3-pyridinyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293945
trimethyl-[4-[5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-2-pyridinyl]phenyl]silane
CID 169293659
2-naphthalen-2-yl-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293608
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline?
The IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline (CID 169293501) is 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline?
The canonical SMILES for 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline is FC(F)(F)c1ccc(-c2ccc(-c3cnc4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c3)cn2)cc1.
What is the InChIKey of 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline?
The InChIKey is SNHKQLDQFWVLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15F9N2/c30-27(31,32)22-6-3-16(4-7-22)25-8-5-19(14-39-25)21-9-18-2-1-17(12-26(18)40-15-21)20-10-23(28(33,34)35)13-24(11-20)29(36,37)38/h1-15H.
What are the key properties of 7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline?
7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline has a molecular weight of 562.44 g/mol, XLogP of 9.69, 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-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 169293501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).