3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine

C23H13NOS — CID 170531478

IUPAC3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc4sc5ccccc5c4cn3)cccc12
InChIInChI=1S/C23H13NOS/c1-3-10-20-14(6-1)16-8-5-9-17(23(16)25-20)19-12-22-18(13-24-19)15-7-2-4-11-21(15)26-22/h1-13H
InChIKeyNOMBRQCLIFHXTA-UHFFFAOYSA-N
MW351.43 g/mol
LogP7.02
Rot. Bonds1

About 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine

3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine (PubChem CID 170531478) has the molecular formula C23H13NOS and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
PubChem CID170531478
Molecular FormulaC23H13NOS
Molecular Weight351.43 g/mol
Exact Mass351.07
IUPAC Name3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc4sc5ccccc5c4cn3)cccc12
InChIInChI=1S/C23H13NOS/c1-3-10-20-14(6-1)16-8-5-9-17(23(16)25-20)19-12-22-18(13-24-19)15-7-2-4-11-21(15)26-22/h1-13H
InChIKeyNOMBRQCLIFHXTA-UHFFFAOYSA-N
XLogP7.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
4-dibenzofuran-4-yl-2-dibenzothiophen-3-yl-6-(2-phenylphenyl)pyrimidine
CID 167349464
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
2-dibenzofuran-4-ylpyridine
CID 59500175
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
CID 168737976
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
5-dibenzofuran-4-yl-2-(4-fluorophenyl)furo[2,3-c]pyridine
CID 155626390
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine (CID 170531478) is 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine is c1ccc2c(c1)oc1c(-c3cc4sc5ccccc5c4cn3)cccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is NOMBRQCLIFHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NOS/c1-3-10-20-14(6-1)16-8-5-9-17(23(16)25-20)19-12-22-18(13-24-19)15-7-2-4-11-21(15)26-22/h1-13H.
What are the key properties of 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine?
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 351.43 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 170531478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).