2,6-diphenylthieno[2,3-f][1]benzothiole

C22H14S2 — CID 59356827

IUPAC2,6-diphenylthieno[2,3-f][1]benzothiole
SMILESc1ccc(-c2cc3cc4sc(-c5ccccc5)cc4cc3s2)cc1
InChIInChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-14H
InChIKeyWNNUVWFCGFUJFU-UHFFFAOYSA-N
MW342.49 g/mol
LogP7.45
Rot. Bonds2

About 2,6-diphenylthieno[2,3-f][1]benzothiole

2,6-diphenylthieno[2,3-f][1]benzothiole (PubChem CID 59356827) has the molecular formula C22H14S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2,6-diphenylthieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name2,6-diphenylthieno[2,3-f][1]benzothiole
PubChem CID59356827
Molecular FormulaC22H14S2
Molecular Weight342.49 g/mol
Exact Mass342.05
IUPAC Name2,6-diphenylthieno[2,3-f][1]benzothiole
SMILESc1ccc(-c2cc3cc4sc(-c5ccccc5)cc4cc3s2)cc1
InChIInChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-14H
InChIKeyWNNUVWFCGFUJFU-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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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylthieno[2,3-f][1]benzothiole?
The IUPAC name of 2,6-diphenylthieno[2,3-f][1]benzothiole (CID 59356827) is 2,6-diphenylthieno[2,3-f][1]benzothiole.
What is the SMILES notation for 2,6-diphenylthieno[2,3-f][1]benzothiole?
The canonical SMILES for 2,6-diphenylthieno[2,3-f][1]benzothiole is c1ccc(-c2cc3cc4sc(-c5ccccc5)cc4cc3s2)cc1.
What is the InChIKey of 2,6-diphenylthieno[2,3-f][1]benzothiole?
The InChIKey is WNNUVWFCGFUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 2,6-diphenylthieno[2,3-f][1]benzothiole?
2,6-diphenylthieno[2,3-f][1]benzothiole 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 2,6-diphenylthieno[2,3-f][1]benzothiole is sourced from PubChem (CID 59356827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).