8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine

C33H20FNS — CID 169293756

IUPAC8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ncccc56)cc4)ccc3c2)cc1
InChIInChI=1S/C33H20FNS/c34-28-16-14-22(15-17-28)25-11-13-26-19-24(10-12-27(26)20-25)21-6-8-23(9-7-21)29-3-1-4-30-31-5-2-18-35-33(31)36-32(29)30/h1-20H
InChIKeyVAFFMTZGWISFST-UHFFFAOYSA-N
MW481.60 g/mol
LogP9.74
Rot. Bonds3

About 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine

8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 169293756) has the molecular formula C33H20FNS and a molecular weight of 481.60 g/mol. Its IUPAC name is 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
PubChem CID169293756
Molecular FormulaC33H20FNS
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ncccc56)cc4)ccc3c2)cc1
InChIInChI=1S/C33H20FNS/c34-28-16-14-22(15-17-28)25-11-13-26-19-24(10-12-27(26)20-25)21-6-8-23(9-7-21)29-3-1-4-30-31-5-2-18-35-33(31)36-32(29)30/h1-20H
InChIKeyVAFFMTZGWISFST-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

6-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293735
8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
CID 170293421
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
8-[4-[7-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 170294498
N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 121295292
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
8-[3-[3-[3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 177115867
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
CID 129063325
7-[4-(4-fluorophenyl)phenyl]-3-(4-naphthalen-1-ylphenyl)quinoline
CID 169293904
N-(4-chrysen-2-ylphenyl)-N-phenyl-[1]benzothiolo[2,3-b]pyridin-8-amine
CID 168738041

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine (CID 169293756) is 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine is Fc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ncccc56)cc4)ccc3c2)cc1.
What is the InChIKey of 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is VAFFMTZGWISFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20FNS/c34-28-16-14-22(15-17-28)25-11-13-26-19-24(10-12-27(26)20-25)21-6-8-23(9-7-21)29-3-1-4-30-31-5-2-18-35-33(31)36-32(29)30/h1-20H.
What are the key properties of 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine?
8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine 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 8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 169293756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).