4-(3-thiophen-2-ylphenyl)dibenzothiophene

C22H14S2 — CID 175696026

IUPAC4-(3-thiophen-2-ylphenyl)dibenzothiophene
SMILESc1cc(-c2cccs2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C22H14S2/c1-2-11-21-18(8-1)19-10-4-9-17(22(19)24-21)15-6-3-7-16(14-15)20-12-5-13-23-20/h1-14H
InChIKeyIDQXVAXNTFVROC-UHFFFAOYSA-N
MW342.49 g/mol
LogP7.45
Rot. Bonds2

About 4-(3-thiophen-2-ylphenyl)dibenzothiophene

4-(3-thiophen-2-ylphenyl)dibenzothiophene (PubChem CID 175696026) has the molecular formula C22H14S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-(3-thiophen-2-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(3-thiophen-2-ylphenyl)dibenzothiophene
PubChem CID175696026
Molecular FormulaC22H14S2
Molecular Weight342.49 g/mol
Exact Mass342.05
IUPAC Name4-(3-thiophen-2-ylphenyl)dibenzothiophene
SMILESc1cc(-c2cccs2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C22H14S2/c1-2-11-21-18(8-1)19-10-4-9-17(22(19)24-21)15-6-3-7-16(14-15)20-12-5-13-23-20/h1-14H
InChIKeyIDQXVAXNTFVROC-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-thiophen-2-ylpyrimidine
CID 130465734
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-ylphenyl)dibenzothiophene?
The IUPAC name of 4-(3-thiophen-2-ylphenyl)dibenzothiophene (CID 175696026) is 4-(3-thiophen-2-ylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(3-thiophen-2-ylphenyl)dibenzothiophene?
The canonical SMILES for 4-(3-thiophen-2-ylphenyl)dibenzothiophene is c1cc(-c2cccs2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-(3-thiophen-2-ylphenyl)dibenzothiophene?
The InChIKey is IDQXVAXNTFVROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S2/c1-2-11-21-18(8-1)19-10-4-9-17(22(19)24-21)15-6-3-7-16(14-15)20-12-5-13-23-20/h1-14H.
What are the key properties of 4-(3-thiophen-2-ylphenyl)dibenzothiophene?
4-(3-thiophen-2-ylphenyl)dibenzothiophene has a molecular weight of 342.49 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 175696026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).