2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine

C23H19NOS — CID 168829258

IUPAC2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
SMILESCc1cnc(-c2cccc3c2oc2c3ccc3c(C)c(C)sc32)cc1C
InChIInChI=1S/C23H19NOS/c1-12-10-20(24-11-13(12)2)19-7-5-6-17-18-9-8-16-14(3)15(4)26-23(16)22(18)25-21(17)19/h5-11H,1-4H3
InChIKeyUVWSQBSVKMIEOK-UHFFFAOYSA-N
MW357.48 g/mol
LogP7.10
Rot. Bonds1

About 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine

2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine (PubChem CID 168829258) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
PubChem CID168829258
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
SMILESCc1cnc(-c2cccc3c2oc2c3ccc3c(C)c(C)sc32)cc1C
InChIInChI=1S/C23H19NOS/c1-12-10-20(24-11-13(12)2)19-7-5-6-17-18-9-8-16-14(3)15(4)26-23(16)22(18)25-21(17)19/h5-11H,1-4H3
InChIKeyUVWSQBSVKMIEOK-UHFFFAOYSA-N
XLogP7.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-5-methylpyridine
CID 168829853
2-(2,3-dimethyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)-4-(2,2-dimethylpropyl)-5-methylpyridine
CID 168829201
4,5-dimethyl-2-(2-methyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)pyridine
CID 168829555
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
10-(4,5-dimethyl-2-pyridinyl)-15,21-diphenyl-12-oxa-1,15,21-triazaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6(11),7,9,16,18,20(28),22,24,26-dodecaene
CID 176796384
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 176779290
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
CID 168829951
2-(1,2-dimethyl-[1]benzothiolo[4,5-b][1]benzofuran-9-yl)-4-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)pyridine
CID 168829191
6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile
CID 171746033
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829551
2,4-ditert-butyl-6-[4-[3-[6-(4,5-dimethyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 164760528

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine?
The IUPAC name of 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine (CID 168829258) is 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine.
What is the SMILES notation for 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine?
The canonical SMILES for 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine is Cc1cnc(-c2cccc3c2oc2c3ccc3c(C)c(C)sc32)cc1C.
What is the InChIKey of 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine?
The InChIKey is UVWSQBSVKMIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c1-12-10-20(24-11-13(12)2)19-7-5-6-17-18-9-8-16-14(3)15(4)26-23(16)22(18)25-21(17)19/h5-11H,1-4H3.
What are the key properties of 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine?
2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine has a molecular weight of 357.48 g/mol, XLogP of 7.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine is sourced from PubChem (CID 168829258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).