6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine

C39H24FNS — CID 169293735

IUPAC6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc7sc8ncccc8c7c6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C39H24FNS/c40-35-18-15-26(16-19-35)25-3-5-27(6-4-25)30-11-13-33-23-31(12-14-32(33)22-30)28-7-9-29(10-8-28)34-17-20-38-37(24-34)36-2-1-21-41-39(36)42-38/h1-24H
InChIKeyCQMRCOIPQROQRC-UHFFFAOYSA-N
MW557.69 g/mol
LogP11.41
Rot. Bonds4

About 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine

6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 169293735) has the molecular formula C39H24FNS and a molecular weight of 557.69 g/mol. Its IUPAC name is 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
PubChem CID169293735
Molecular FormulaC39H24FNS
Molecular Weight557.69 g/mol
Exact Mass557.16
IUPAC Name6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc7sc8ncccc8c7c6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C39H24FNS/c40-35-18-15-26(16-19-35)25-3-5-27(6-4-25)30-11-13-33-23-31(12-14-32(33)22-30)28-7-9-29(10-8-28)34-17-20-38-37(24-34)36-2-1-21-41-39(36)42-38/h1-24H
InChIKeyCQMRCOIPQROQRC-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

Analyze 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine with MolForge

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Related Compounds

8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293756
6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250519
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
3-(4-dibenzothiophen-2-ylphenyl)-7-(4-fluorophenyl)quinoline
CID 169293677
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 168737841
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 166860696
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
6-(4-tetraphenylen-1-ylphenyl)-[1]benzothiolo[2,3-b]pyridine;6-(4-tetraphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine;2-(4-tetraphenylen-1-ylphenyl)dibenzothiophene;2-(4-tetraphenylen-2-ylphenyl)dibenzothiophene
CID 157325985
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
2-[4-[8-[4-(1,10-phenanthrolin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,10-phenanthroline
CID 90050142
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine (CID 169293735) is 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine is Fc1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc7sc8ncccc8c7c6)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is CQMRCOIPQROQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24FNS/c40-35-18-15-26(16-19-35)25-3-5-27(6-4-25)30-11-13-33-23-31(12-14-32(33)22-30)28-7-9-29(10-8-28)34-17-20-38-37(24-34)36-2-1-21-41-39(36)42-38/h1-24H.
What are the key properties of 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine 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 6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 169293735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).