2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine

C24H15NS2 — CID 138496173

IUPAC2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1ccc(Cc3ccc4sc5ccccc5c4n3)cc12
InChIInChI=1S/C24H15NS2/c1-3-7-20-17(5-1)19-14-15(9-11-22(19)26-20)13-16-10-12-23-24(25-16)18-6-2-4-8-21(18)27-23/h1-12,14H,13H2
InChIKeyFCXBSHJDJCPYAZ-UHFFFAOYSA-N
MW381.53 g/mol
LogP7.41
Rot. Bonds2

About 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine

2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine (PubChem CID 138496173) has the molecular formula C24H15NS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
PubChem CID138496173
Molecular FormulaC24H15NS2
Molecular Weight381.53 g/mol
Exact Mass381.06
IUPAC Name2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1ccc(Cc3ccc4sc5ccccc5c4n3)cc12
InChIInChI=1S/C24H15NS2/c1-3-7-20-17(5-1)19-14-15(9-11-22(19)26-20)13-16-10-12-23-24(25-16)18-6-2-4-8-21(18)27-23/h1-12,14H,13H2
InChIKeyFCXBSHJDJCPYAZ-UHFFFAOYSA-N
XLogP7.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methyl]dibenzothiophene
CID 135219412
2-(2-iodo-2-methylpropyl)dibenzothiophene
CID 167162829
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607
2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815
3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
CID 20573249
4-dibenzothiophen-2-ylbutanal
CID 89173289
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
CID 158656541
3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
CID 20572908
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine (CID 138496173) is 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine is c1ccc2c(c1)sc1ccc(Cc3ccc4sc5ccccc5c4n3)cc12.
What is the InChIKey of 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is FCXBSHJDJCPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NS2/c1-3-7-20-17(5-1)19-14-15(9-11-22(19)26-20)13-16-10-12-23-24(25-16)18-6-2-4-8-21(18)27-23/h1-12,14H,13H2.
What are the key properties of 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine?
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 381.53 g/mol, XLogP of 7.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 138496173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).