6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine

C33H23NOS — CID 155628537

IUPAC6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine
SMILESCc1cccc(C)c1-c1ccc(-c2cc3ccc(-c4cccc5c4oc4ccccc45)nc3s2)cc1
InChIInChI=1S/C33H23NOS/c1-20-7-5-8-21(2)31(20)23-15-13-22(14-16-23)30-19-24-17-18-28(34-33(24)36-30)27-11-6-10-26-25-9-3-4-12-29(25)35-32(26)27/h3-19H,1-2H3
InChIKeyMKZJLIJCKFKMBA-UHFFFAOYSA-N
MW481.62 g/mol
LogP9.81
Rot. Bonds3

About 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine

6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine (PubChem CID 155628537) has the molecular formula C33H23NOS and a molecular weight of 481.62 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine
PubChem CID155628537
Molecular FormulaC33H23NOS
Molecular Weight481.62 g/mol
Exact Mass481.15
IUPAC Name6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine
SMILESCc1cccc(C)c1-c1ccc(-c2cc3ccc(-c4cccc5c4oc4ccccc45)nc3s2)cc1
InChIInChI=1S/C33H23NOS/c1-20-7-5-8-21(2)31(20)23-15-13-22(14-16-23)30-19-24-17-18-28(34-33(24)36-30)27-11-6-10-26-25-9-3-4-12-29(25)35-32(26)27/h3-19H,1-2H3
InChIKeyMKZJLIJCKFKMBA-UHFFFAOYSA-N
XLogP9.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628896
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine
CID 155629231
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
5-dibenzofuran-4-yl-2-(4-fluorophenyl)thieno[3,2-b]pyridine
CID 155628677
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine
CID 155628654
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine?
The IUPAC name of 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine (CID 155628537) is 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine.
What is the SMILES notation for 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine?
The canonical SMILES for 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine is Cc1cccc(C)c1-c1ccc(-c2cc3ccc(-c4cccc5c4oc4ccccc45)nc3s2)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine?
The InChIKey is MKZJLIJCKFKMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NOS/c1-20-7-5-8-21(2)31(20)23-15-13-22(14-16-23)30-19-24-17-18-28(34-33(24)36-30)27-11-6-10-26-25-9-3-4-12-29(25)35-32(26)27/h3-19H,1-2H3.
What are the key properties of 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine?
6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine has a molecular weight of 481.62 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 155628537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).