3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline

C34H20F3NS — CID 169293563

IUPAC3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cnc3c2)cc1
InChIInChI=1S/C34H20F3NS/c35-34(36,37)28-14-11-22(12-15-28)25-9-10-26-17-27(20-38-31(26)19-25)23-7-5-21(6-8-23)24-13-16-33-30(18-24)29-3-1-2-4-32(29)39-33/h1-20H
InChIKeyLAFGPSXMSDVXNZ-UHFFFAOYSA-N
MW531.60 g/mol
LogP10.62
Rot. Bonds3

About 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline

3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline (PubChem CID 169293563) has the molecular formula C34H20F3NS and a molecular weight of 531.60 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
PubChem CID169293563
Molecular FormulaC34H20F3NS
Molecular Weight531.60 g/mol
Exact Mass531.13
IUPAC Name3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cnc3c2)cc1
InChIInChI=1S/C34H20F3NS/c35-34(36,37)28-14-11-22(12-15-28)25-9-10-26-17-27(20-38-31(26)19-25)23-7-5-21(6-8-23)24-13-16-33-30(18-24)29-3-1-2-4-32(29)39-33/h1-20H
InChIKeyLAFGPSXMSDVXNZ-UHFFFAOYSA-N
XLogP10.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.60
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
CID 169293677
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]dibenzothiophene
CID 171056317
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985
3-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)quinoline;dihydrate
CID 144508583
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline (CID 169293563) is 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1ccc(-c2ccc3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cnc3c2)cc1.
What is the InChIKey of 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline?
The InChIKey is LAFGPSXMSDVXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F3NS/c35-34(36,37)28-14-11-22(12-15-28)25-9-10-26-17-27(20-38-31(26)19-25)23-7-5-21(6-8-23)24-13-16-33-30(18-24)29-3-1-2-4-32(29)39-33/h1-20H.
What are the key properties of 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline?
3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline has a molecular weight of 531.60 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 169293563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).