4,5-diphenylthieno[3,2-g][1]benzothiole

C22H14S2 — CID 68617982

IUPAC4,5-diphenylthieno[3,2-g][1]benzothiole
SMILESc1ccc(-c2c(-c3ccccc3)c3ccsc3c3sccc23)cc1
InChIInChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-17-11-13-23-21(17)22-18(12-14-24-22)20(19)16-9-5-2-6-10-16/h1-14H
InChIKeyUAKIKCNDMYMNQG-UHFFFAOYSA-N
MW342.49 g/mol
LogP7.45
Rot. Bonds2

About 4,5-diphenylthieno[3,2-g][1]benzothiole

4,5-diphenylthieno[3,2-g][1]benzothiole (PubChem CID 68617982) has the molecular formula C22H14S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4,5-diphenylthieno[3,2-g][1]benzothiole.

Molecular Properties

Compound Name4,5-diphenylthieno[3,2-g][1]benzothiole
PubChem CID68617982
Molecular FormulaC22H14S2
Molecular Weight342.49 g/mol
Exact Mass342.05
IUPAC Name4,5-diphenylthieno[3,2-g][1]benzothiole
SMILESc1ccc(-c2c(-c3ccccc3)c3ccsc3c3sccc23)cc1
InChIInChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-17-11-13-23-21(17)22-18(12-14-24-22)20(19)16-9-5-2-6-10-16/h1-14H
InChIKeyUAKIKCNDMYMNQG-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

Benzo(b)naphtho(2,1-d)thiophene
CID 9198
4,6-Dimethyldibenzothiophene
CID 71012
2-(2-Naphthyl)-1-thiaindene
CID 253238
Phenanthro(3,4-b)thiophene
CID 160441
Phenanthro(4,3-b)thiophene
CID 164557
3-(2-Naphthyl)-1-thiaindene
CID 294854
Benzo(b)naphtho(2,3-d)thiophene
CID 9203
Phenanthro(4,5-bcd)thiophene
CID 35463
Dinaphtho(2,1-b:1',2'-d)thiophene
CID 67452
Triphenyleno(4,5-bcd)thiophene
CID 50219
Naphtho(2,3-b)thiophene
CID 67497
Phenanthro[1,2-b]thiophene
CID 148831

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylthieno[3,2-g][1]benzothiole?
The IUPAC name of 4,5-diphenylthieno[3,2-g][1]benzothiole (CID 68617982) is 4,5-diphenylthieno[3,2-g][1]benzothiole.
What is the SMILES notation for 4,5-diphenylthieno[3,2-g][1]benzothiole?
The canonical SMILES for 4,5-diphenylthieno[3,2-g][1]benzothiole is c1ccc(-c2c(-c3ccccc3)c3ccsc3c3sccc23)cc1.
What is the InChIKey of 4,5-diphenylthieno[3,2-g][1]benzothiole?
The InChIKey is UAKIKCNDMYMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-17-11-13-23-21(17)22-18(12-14-24-22)20(19)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 4,5-diphenylthieno[3,2-g][1]benzothiole?
4,5-diphenylthieno[3,2-g][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 4,5-diphenylthieno[3,2-g][1]benzothiole is sourced from PubChem (CID 68617982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).