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

C34H20F6N2 — CID 169293936

IUPAC7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccccn6)cc5)cnc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H20F6N2/c35-33(36,37)29-16-27(17-30(19-29)34(38,39)40)22-6-4-21(5-7-22)25-12-13-26-15-28(20-42-32(26)18-25)23-8-10-24(11-9-23)31-3-1-2-14-41-31/h1-20H
InChIKeyLPSLTLSDSKEVJK-UHFFFAOYSA-N
MW570.54 g/mol
LogP10.34
Rot. Bonds4

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

7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline (PubChem CID 169293936) has the molecular formula C34H20F6N2 and a molecular weight of 570.54 g/mol. Its IUPAC name is 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline.

Molecular Properties

Compound Name7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
PubChem CID169293936
Molecular FormulaC34H20F6N2
Molecular Weight570.54 g/mol
Exact Mass570.15
IUPAC Name7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccccn6)cc5)cnc4c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H20F6N2/c35-33(36,37)29-16-27(17-30(19-29)34(38,39)40)22-6-4-21(5-7-22)25-12-13-26-15-28(20-42-32(26)18-25)23-8-10-24(11-9-23)31-3-1-2-14-41-31/h1-20H
InChIKeyLPSLTLSDSKEVJK-UHFFFAOYSA-N
XLogP10.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.54
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293842
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-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
The IUPAC name of 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline (CID 169293936) is 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline.
What is the SMILES notation for 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
The canonical SMILES for 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline is FC(F)(F)c1cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccccn6)cc5)cnc4c3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
The InChIKey is LPSLTLSDSKEVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F6N2/c35-33(36,37)29-16-27(17-30(19-29)34(38,39)40)22-6-4-21(5-7-22)25-12-13-26-15-28(20-42-32(26)18-25)23-8-10-24(11-9-23)31-3-1-2-14-41-31/h1-20H.
What are the key properties of 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline?
7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline has a molecular weight of 570.54 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline is sourced from PubChem (CID 169293936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).