5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline

C27H16FNS — CID 172523560

IUPAC5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline
SMILESFc1cccc2nc(-c3ccc4sc5c(-c6ccccc6)cccc5c4c3)ccc12
InChIInChI=1S/C27H16FNS/c28-23-10-5-11-25-21(23)13-14-24(29-25)18-12-15-26-22(16-18)20-9-4-8-19(27(20)30-26)17-6-2-1-3-7-17/h1-16H
InChIKeyXUYWPVOXZUXKFJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP8.08
Rot. Bonds2

About 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline

5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline (PubChem CID 172523560) has the molecular formula C27H16FNS and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline.

Molecular Properties

Compound Name5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline
PubChem CID172523560
Molecular FormulaC27H16FNS
Molecular Weight405.50 g/mol
Exact Mass405.10
IUPAC Name5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline
SMILESFc1cccc2nc(-c3ccc4sc5c(-c6ccccc6)cccc5c4c3)ccc12
InChIInChI=1S/C27H16FNS/c28-23-10-5-11-25-21(23)13-14-24(29-25)18-12-15-26-22(16-18)20-9-4-8-19(27(20)30-26)17-6-2-1-3-7-17/h1-16H
InChIKeyXUYWPVOXZUXKFJ-UHFFFAOYSA-N
XLogP8.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline
CID 155328667
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 134273443
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyridine
CID 89369500
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-(6-phenanthren-2-yldibenzothiophen-2-yl)-4,6-diphenylpyrimidine
CID 166952614
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159445296
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[4-[8-[8-[3-dibenzothiophen-2-yl-5-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]dibenzothiophen-4-yl]phenyl]-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine
CID 137465889

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline?
The IUPAC name of 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline (CID 172523560) is 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline.
What is the SMILES notation for 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline?
The canonical SMILES for 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline is Fc1cccc2nc(-c3ccc4sc5c(-c6ccccc6)cccc5c4c3)ccc12.
What is the InChIKey of 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline?
The InChIKey is XUYWPVOXZUXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16FNS/c28-23-10-5-11-25-21(23)13-14-24(29-25)18-12-15-26-22(16-18)20-9-4-8-19(27(20)30-26)17-6-2-1-3-7-17/h1-16H.
What are the key properties of 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline?
5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline has a molecular weight of 405.50 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline is sourced from PubChem (CID 172523560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).