3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline

C32H19FN2S — CID 169293933

IUPAC3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cnc3c2)cc1
InChIInChI=1S/C32H19FN2S/c33-25-13-10-20(11-14-25)21-8-9-22-16-24(19-35-30(22)17-21)23-12-15-29(34-18-23)28-6-3-5-27-26-4-1-2-7-31(26)36-32(27)28/h1-19H
InChIKeyOEGSIOVNADVVDF-UHFFFAOYSA-N
MW482.58 g/mol
LogP9.14
Rot. Bonds3

About 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline

3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline (PubChem CID 169293933) has the molecular formula C32H19FN2S and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline.

Molecular Properties

Compound Name3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
PubChem CID169293933
Molecular FormulaC32H19FN2S
Molecular Weight482.58 g/mol
Exact Mass482.13
IUPAC Name3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cnc3c2)cc1
InChIInChI=1S/C32H19FN2S/c33-25-13-10-20(11-14-25)21-8-9-22-16-24(19-35-30(22)17-21)23-12-15-29(34-18-23)28-6-3-5-27-26-4-1-2-7-31(26)36-32(27)28/h1-19H
InChIKeyOEGSIOVNADVVDF-UHFFFAOYSA-N
XLogP9.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985
3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
CID 169293677
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
7-[4-(4-fluorophenyl)phenyl]-3-(4-naphthalen-1-ylphenyl)quinoline
CID 169293904
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 169293885
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
3-[5-(3-dibenzothiophen-4-yl-5-quinolin-3-ylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 171459979
2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 170294144
3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293939
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915

Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
The IUPAC name of 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline (CID 169293933) is 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline.
What is the SMILES notation for 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
The canonical SMILES for 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline is Fc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)nc4)cnc3c2)cc1.
What is the InChIKey of 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
The InChIKey is OEGSIOVNADVVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN2S/c33-25-13-10-20(11-14-25)21-8-9-22-16-24(19-35-30(22)17-21)23-12-15-29(34-18-23)28-6-3-5-27-26-4-1-2-7-31(26)36-32(27)28/h1-19H.
What are the key properties of 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline?
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline has a molecular weight of 482.58 g/mol, XLogP of 9.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline is sourced from PubChem (CID 169293933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).