2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine

C27H26N2OS — CID 168828621

IUPAC2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4c5c(sc4n3)C(C)(C)CCC5(C)C)cccc12
InChIInChI=1S/C27H26N2OS/c1-15-9-10-17-16-7-6-8-18(22(16)30-24(17)28-15)20-12-11-19-21-23(31-25(19)29-20)27(4,5)14-13-26(21,2)3/h6-12H,13-14H2,1-5H3
InChIKeyUUYGSXCOGCYMEQ-UHFFFAOYSA-N
MW426.59 g/mol
LogP7.92
Rot. Bonds1

About 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine

2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168828621) has the molecular formula C27H26N2OS and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168828621
Molecular FormulaC27H26N2OS
Molecular Weight426.59 g/mol
Exact Mass426.18
IUPAC Name2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3ccc4c5c(sc4n3)C(C)(C)CCC5(C)C)cccc12
InChIInChI=1S/C27H26N2OS/c1-15-9-10-17-16-7-6-8-18(22(16)30-24(17)28-15)20-12-11-19-21-23(31-25(19)29-20)27(4,5)14-13-26(21,2)3/h6-12H,13-14H2,1-5H3
InChIKeyUUYGSXCOGCYMEQ-UHFFFAOYSA-N
XLogP7.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

iridium;2-phenylpyridine;8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 168828851
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 168828426
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628896
2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
CID 168828175
2-methyl-8-[6-[[6-(2-methyl-[1]benzothiolo[2,3-b]pyridin-8-yl)-2-pyridinyl]oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742228
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828
8-[3-(1,1-dideuterio-2,2-dimethylpropyl)-2-methylthieno[2,3-b]pyridin-6-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 168828389
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065
8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155626207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 168828621) is 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4c5c(sc4n3)C(C)(C)CCC5(C)C)cccc12.
What is the InChIKey of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UUYGSXCOGCYMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2OS/c1-15-9-10-17-16-7-6-8-18(22(16)30-24(17)28-15)20-12-11-19-21-23(31-25(19)29-20)27(4,5)14-13-26(21,2)3/h6-12H,13-14H2,1-5H3.
What are the key properties of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 426.59 g/mol, XLogP of 7.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168828621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).