3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline

C33H20FNS — CID 169293677

IUPAC3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cnc3c2)cc1
InChIInChI=1S/C33H20FNS/c34-28-14-11-22(12-15-28)25-9-10-26-17-27(20-35-31(26)19-25)23-7-5-21(6-8-23)24-13-16-33-30(18-24)29-3-1-2-4-32(29)36-33/h1-20H
InChIKeyUJTSCLDRKKLHOD-UHFFFAOYSA-N
MW481.60 g/mol
LogP9.74
Rot. Bonds3

About 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline

3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline (PubChem CID 169293677) has the molecular formula C33H20FNS and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
PubChem CID169293677
Molecular FormulaC33H20FNS
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cnc3c2)cc1
InChIInChI=1S/C33H20FNS/c34-28-14-11-22(12-15-28)25-9-10-26-17-27(20-35-31(26)19-25)23-7-5-21(6-8-23)24-13-16-33-30(18-24)29-3-1-2-4-32(29)36-33/h1-20H
InChIKeyUJTSCLDRKKLHOD-UHFFFAOYSA-N
XLogP9.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293563
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293735
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
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-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293939
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
CID 170294733

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline?
The IUPAC name of 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline (CID 169293677) is 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline.
What is the SMILES notation for 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline?
The canonical SMILES for 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline is Fc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cnc3c2)cc1.
What is the InChIKey of 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline?
The InChIKey is UJTSCLDRKKLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20FNS/c34-28-14-11-22(12-15-28)25-9-10-26-17-27(20-35-31(26)19-25)23-7-5-21(6-8-23)24-13-16-33-30(18-24)29-3-1-2-4-32(29)36-33/h1-20H.
What are the key properties of 3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline?
3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline has a molecular weight of 481.60 g/mol, XLogP of 9.74, 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-fluorophenyl)quinoline is sourced from PubChem (CID 169293677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).