3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine

C24H15NS2 — CID 162500388

IUPAC3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESCc1ccc2c(c1)sc1c(-c3cc4c(cn3)sc3ccccc34)cccc12
InChIInChI=1S/C24H15NS2/c1-14-9-10-16-17-6-4-7-18(24(17)27-22(16)11-14)20-12-19-15-5-2-3-8-21(15)26-23(19)13-25-20/h2-13H,1H3
InChIKeyKHWIOGDKOYLRCD-UHFFFAOYSA-N
MW381.53 g/mol
LogP7.79
Rot. Bonds1

About 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine

3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 162500388) has the molecular formula C24H15NS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID162500388
Molecular FormulaC24H15NS2
Molecular Weight381.53 g/mol
Exact Mass381.06
IUPAC Name3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESCc1ccc2c(c1)sc1c(-c3cc4c(cn3)sc3ccccc34)cccc12
InChIInChI=1S/C24H15NS2/c1-14-9-10-16-17-6-4-7-18(24(17)27-22(16)11-14)20-12-19-15-5-2-3-8-21(15)26-23(19)13-25-20/h2-13H,1H3
InChIKeyKHWIOGDKOYLRCD-UHFFFAOYSA-N
XLogP7.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
CID 121463376
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
6-(5-methyl-2-pyridinyl)dibenzothiophene-3-carbonitrile
CID 155043464
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123262812
3-[6-(6,8-dimethylisoquinolin-3-yl)dibenzothiophen-4-yl]-6,8-dimethylisoquinoline
CID 171419630
3-[7-(3-phenylphenyl)dibenzothiophen-4-yl]isoquinoline
CID 166577401
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine (CID 162500388) is 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine is Cc1ccc2c(c1)sc1c(-c3cc4c(cn3)sc3ccccc34)cccc12.
What is the InChIKey of 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is KHWIOGDKOYLRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NS2/c1-14-9-10-16-17-6-4-7-18(24(17)27-22(16)11-14)20-12-19-15-5-2-3-8-21(15)26-23(19)13-25-20/h2-13H,1H3.
What are the key properties of 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine?
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 381.53 g/mol, XLogP of 7.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 162500388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).