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

C39H24FNS — CID 169293985

IUPAC3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cnc4c3)cc2)cc1
InChIInChI=1S/C39H24FNS/c40-33-20-18-26(19-21-33)25-8-10-27(11-9-25)30-16-17-31-22-32(24-41-37(31)23-30)28-12-14-29(15-13-28)34-5-3-6-36-35-4-1-2-7-38(35)42-39(34)36/h1-24H
InChIKeyXALBYQCUIFJSER-UHFFFAOYSA-N
MW557.69 g/mol
LogP11.41
Rot. Bonds4

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

3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline (PubChem CID 169293985) has the molecular formula C39H24FNS and a molecular weight of 557.69 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline.

Molecular Properties

Compound Name3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
PubChem CID169293985
Molecular FormulaC39H24FNS
Molecular Weight557.69 g/mol
Exact Mass557.16
IUPAC Name3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cnc4c3)cc2)cc1
InChIInChI=1S/C39H24FNS/c40-33-20-18-26(19-21-33)25-8-10-27(11-9-25)30-16-17-31-22-32(24-41-37(31)23-30)28-12-14-29(15-13-28)34-5-3-6-36-35-4-1-2-7-38(35)42-39(34)36/h1-24H
InChIKeyXALBYQCUIFJSER-UHFFFAOYSA-N
XLogP11.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.69
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
CID 169293677
8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293756
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294074

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline?
The IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline (CID 169293985) is 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline.
What is the SMILES notation for 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline?
The canonical SMILES for 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline is Fc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cnc4c3)cc2)cc1.
What is the InChIKey of 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline?
The InChIKey is XALBYQCUIFJSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24FNS/c40-33-20-18-26(19-21-33)25-8-10-27(11-9-25)30-16-17-31-22-32(24-41-37(31)23-30)28-12-14-29(15-13-28)34-5-3-6-36-35-4-1-2-7-38(35)42-39(34)36/h1-24H.
What are the key properties of 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline?
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline has a molecular weight of 557.69 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline is sourced from PubChem (CID 169293985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).