2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine

C29H23NOS — CID 153444973

IUPAC2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3cc(-c4c(C)cc5c(sc6ccccc65)c4C)oc23)c1
InChIInChI=1S/C29H23NOS/c1-16-11-17(2)13-21(12-16)27-28-20(9-10-30-27)15-24(31-28)26-18(3)14-23-22-7-5-6-8-25(22)32-29(23)19(26)4/h5-15H,1-4H3
InChIKeyOTFBFPOACUZSQM-UHFFFAOYSA-N
MW433.58 g/mol
LogP8.76
Rot. Bonds2

About 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine

2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine (PubChem CID 153444973) has the molecular formula C29H23NOS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
PubChem CID153444973
Molecular FormulaC29H23NOS
Molecular Weight433.58 g/mol
Exact Mass433.15
IUPAC Name2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3cc(-c4c(C)cc5c(sc6ccccc65)c4C)oc23)c1
InChIInChI=1S/C29H23NOS/c1-16-11-17(2)13-21(12-16)27-28-20(9-10-30-27)15-24(31-28)26-18(3)14-23-22-7-5-6-8-25(22)32-29(23)19(26)4/h5-15H,1-4H3
InChIKeyOTFBFPOACUZSQM-UHFFFAOYSA-N
XLogP8.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)-4-phenylfuro[2,3-c]pyridine
CID 153444945
7-(3,5-dimethylphenyl)-2-phenylfuro[2,3-c]pyridine
CID 153444977
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
CID 171718045
2,3,4-trimethyldibenzothiophene
CID 15818020
2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 171717908
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-6-(2-methylpropyl)-1-benzothiophen-3-yl]furo[2,3-c]pyridine
CID 171717652
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
2-(4-tert-butyl-3-methylcyclohexa-1,5-dien-1-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine
CID 146226175
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718138

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
The IUPAC name of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine (CID 153444973) is 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
The canonical SMILES for 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine is Cc1cc(C)cc(-c2nccc3cc(-c4c(C)cc5c(sc6ccccc65)c4C)oc23)c1.
What is the InChIKey of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
The InChIKey is OTFBFPOACUZSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NOS/c1-16-11-17(2)13-21(12-16)27-28-20(9-10-30-27)15-24(31-28)26-18(3)14-23-22-7-5-6-8-25(22)32-29(23)19(26)4/h5-15H,1-4H3.
What are the key properties of 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine?
2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine has a molecular weight of 433.58 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyldibenzothiophen-3-yl)-7-(3,5-dimethylphenyl)furo[2,3-c]pyridine is sourced from PubChem (CID 153444973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).