4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine

C24H17NS — CID 166575205

IUPAC4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
SMILESCc1ccnc(-c2ccc3c(c2)sc2cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C24H17NS/c1-16-11-12-25-22(13-16)19-8-10-21-20-9-7-18(17-5-3-2-4-6-17)14-23(20)26-24(21)15-19/h2-15H,1H3
InChIKeyDETOXGNUBYOWEB-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.09
Rot. Bonds2

About 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine

4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine (PubChem CID 166575205) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine.

Molecular Properties

Compound Name4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
PubChem CID166575205
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC Name4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
SMILESCc1ccnc(-c2ccc3c(c2)sc2cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C24H17NS/c1-16-11-12-25-22(13-16)19-8-10-21-20-9-7-18(17-5-3-2-4-6-17)14-23(20)26-24(21)15-19/h2-15H,1H3
InChIKeyDETOXGNUBYOWEB-UHFFFAOYSA-N
XLogP7.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
CID 166575809
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
4-phenyl-2-[7-phenyl-9-(trideuteriomethyl)dibenzothiophen-3-yl]pyridine
CID 166573317
2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586988
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
CID 118397389
4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397870
4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)dibenzothiophen-2-yl]pyridine
CID 169038578
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 154624619
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 169059274
3-tert-butyl-7-phenyldibenzothiophene
CID 138708120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine?
The IUPAC name of 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine (CID 166575205) is 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine.
What is the SMILES notation for 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine?
The canonical SMILES for 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine is Cc1ccnc(-c2ccc3c(c2)sc2cc(-c4ccccc4)ccc23)c1.
What is the InChIKey of 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine?
The InChIKey is DETOXGNUBYOWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-16-11-12-25-22(13-16)19-8-10-21-20-9-7-18(17-5-3-2-4-6-17)14-23(20)26-24(21)15-19/h2-15H,1H3.
What are the key properties of 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine?
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine has a molecular weight of 351.47 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine is sourced from PubChem (CID 166575205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).