8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine

C33H22N2S — CID 170293421

IUPAC8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ncccc56)nc4)ccc3c2)cc1
InChIInChI=1S/C33H22N2S/c1-21-7-9-22(10-8-21)23-11-12-25-19-26(14-13-24(25)18-23)27-15-16-31(35-20-27)30-5-2-4-28-29-6-3-17-34-33(29)36-32(28)30/h2-20H,1H3
InChIKeyHYOCTBZDXWAZDG-UHFFFAOYSA-N
MW478.62 g/mol
LogP9.31
Rot. Bonds3

About 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine

8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 170293421) has the molecular formula C33H22N2S and a molecular weight of 478.62 g/mol. Its IUPAC name is 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
PubChem CID170293421
Molecular FormulaC33H22N2S
Molecular Weight478.62 g/mol
Exact Mass478.15
IUPAC Name8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ncccc56)nc4)ccc3c2)cc1
InChIInChI=1S/C33H22N2S/c1-21-7-9-22(10-8-21)23-11-12-25-19-26(14-13-24(25)18-23)27-15-16-31(35-20-27)30-5-2-4-28-29-6-3-17-34-33(29)36-32(28)30/h2-20H,1H3
InChIKeyHYOCTBZDXWAZDG-UHFFFAOYSA-N
XLogP9.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 169293756
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
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
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
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
3-[6-(6,8-dimethylisoquinolin-3-yl)dibenzothiophen-4-yl]-6,8-dimethylisoquinoline
CID 171419630
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
5-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-2-pyridin-2-ylpyridine
CID 88551889
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691

Frequently Asked Questions

What is the IUPAC name of 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine (CID 170293421) is 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine is Cc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5sc5ncccc56)nc4)ccc3c2)cc1.
What is the InChIKey of 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is HYOCTBZDXWAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2S/c1-21-7-9-22(10-8-21)23-11-12-25-19-26(14-13-24(25)18-23)27-15-16-31(35-20-27)30-5-2-4-28-29-6-3-17-34-33(29)36-32(28)30/h2-20H,1H3.
What are the key properties of 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine?
8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 478.62 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[6-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 170293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).