4-benzyl-2-dibenzothiophen-4-ylpyridine

C24H17NS — CID 162707665

IUPAC4-benzyl-2-dibenzothiophen-4-ylpyridine
SMILESc1ccc(Cc2ccnc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C24H17NS/c1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21/h1-14,16H,15H2
InChIKeyFVPZVFHVVFOFGA-UHFFFAOYSA-N
MW351.47 g/mol
LogP6.71
Rot. Bonds3

About 4-benzyl-2-dibenzothiophen-4-ylpyridine

4-benzyl-2-dibenzothiophen-4-ylpyridine (PubChem CID 162707665) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-benzyl-2-dibenzothiophen-4-ylpyridine.

Molecular Properties

Compound Name4-benzyl-2-dibenzothiophen-4-ylpyridine
PubChem CID162707665
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC Name4-benzyl-2-dibenzothiophen-4-ylpyridine
SMILESc1ccc(Cc2ccnc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C24H17NS/c1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21/h1-14,16H,15H2
InChIKeyFVPZVFHVVFOFGA-UHFFFAOYSA-N
XLogP6.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
CID 166574741
4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078247
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)pyrimidine
CID 155079114
4-pentan-3-yl-2-(9-phenyldibenzothiophen-4-yl)pyridine
CID 166574444
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-[3-[dideuterio(phenyl)methyl]phenyl]dibenzothiophene
CID 162708065
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
9-[5-[4-(2-dibenzothiophen-4-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500027
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262550
2-benzyl-6-methyldibenzothiophene
CID 155004541
2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
CID 121463376
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-dibenzothiophen-4-ylpyridine?
The IUPAC name of 4-benzyl-2-dibenzothiophen-4-ylpyridine (CID 162707665) is 4-benzyl-2-dibenzothiophen-4-ylpyridine.
What is the SMILES notation for 4-benzyl-2-dibenzothiophen-4-ylpyridine?
The canonical SMILES for 4-benzyl-2-dibenzothiophen-4-ylpyridine is c1ccc(Cc2ccnc(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 4-benzyl-2-dibenzothiophen-4-ylpyridine?
The InChIKey is FVPZVFHVVFOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21/h1-14,16H,15H2.
What are the key properties of 4-benzyl-2-dibenzothiophen-4-ylpyridine?
4-benzyl-2-dibenzothiophen-4-ylpyridine has a molecular weight of 351.47 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-dibenzothiophen-4-ylpyridine is sourced from PubChem (CID 162707665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).