5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine

C26H17NOS — CID 155628654

IUPAC5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine
SMILESCc1c(-c2ccccc2)sc2ccc(-c3cccc4c3oc3ccccc34)nc12
InChIInChI=1S/C26H17NOS/c1-16-24-23(29-26(16)17-8-3-2-4-9-17)15-14-21(27-24)20-12-7-11-19-18-10-5-6-13-22(18)28-25(19)20/h2-15H,1H3
InChIKeyUGWLMWZKTMKVKV-UHFFFAOYSA-N
MW391.50 g/mol
LogP7.84
Rot. Bonds2

About 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine

5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine (PubChem CID 155628654) has the molecular formula C26H17NOS and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine
PubChem CID155628654
Molecular FormulaC26H17NOS
Molecular Weight391.50 g/mol
Exact Mass391.10
IUPAC Name5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine
SMILESCc1c(-c2ccccc2)sc2ccc(-c3cccc4c3oc3ccccc34)nc12
InChIInChI=1S/C26H17NOS/c1-16-24-23(29-26(16)17-8-3-2-4-9-17)15-14-21(27-24)20-12-7-11-19-18-10-5-6-13-22(18)28-25(19)20/h2-15H,1H3
InChIKeyUGWLMWZKTMKVKV-UHFFFAOYSA-N
XLogP7.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
5-dibenzofuran-4-yl-2-(4-fluorophenyl)thieno[3,2-b]pyridine
CID 155628677
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine
CID 155628537
7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole
CID 138633704
2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
CID 176785300
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 134399103
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
4-(1-benzothiophen-2-yl)-6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidine
CID 146186725

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine?
The IUPAC name of 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine (CID 155628654) is 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine is Cc1c(-c2ccccc2)sc2ccc(-c3cccc4c3oc3ccccc34)nc12.
What is the InChIKey of 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine?
The InChIKey is UGWLMWZKTMKVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NOS/c1-16-24-23(29-26(16)17-8-3-2-4-9-17)15-14-21(27-24)20-12-7-11-19-18-10-5-6-13-22(18)28-25(19)20/h2-15H,1H3.
What are the key properties of 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine?
5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine has a molecular weight of 391.50 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 155628654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).