4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole

C26H16S3 — CID 122373287

IUPAC4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
SMILESc1ccc(-c2c3ccccc3cc3sc(-c4ccc(-c5cccs5)s4)cc23)cc1
InChIInChI=1S/C26H16S3/c1-2-7-17(8-3-1)26-19-10-5-4-9-18(19)15-24-20(26)16-25(29-24)23-13-12-22(28-23)21-11-6-14-27-21/h1-16H
InChIKeyWOZLDOHUTRUTOW-UHFFFAOYSA-N
MW424.62 g/mol
LogP9.18
Rot. Bonds3

About 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole

4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole (PubChem CID 122373287) has the molecular formula C26H16S3 and a molecular weight of 424.62 g/mol. Its IUPAC name is 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole.

Molecular Properties

Compound Name4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
PubChem CID122373287
Molecular FormulaC26H16S3
Molecular Weight424.62 g/mol
Exact Mass424.04
IUPAC Name4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
SMILESc1ccc(-c2c3ccccc3cc3sc(-c4ccc(-c5cccs5)s4)cc23)cc1
InChIInChI=1S/C26H16S3/c1-2-7-17(8-3-1)26-19-10-5-4-9-18(19)15-24-20(26)16-25(29-24)23-13-12-22(28-23)21-11-6-14-27-21/h1-16H
InChIKeyWOZLDOHUTRUTOW-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 25213369
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
CID 177465253
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
CID 86235074
2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 118503421
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
3-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzothiole
CID 118503674
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine
CID 71085790
5-(5-thiophen-2-ylthiophen-2-yl)naphthalen-2-ol
CID 11045057

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole?
The IUPAC name of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole (CID 122373287) is 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole.
What is the SMILES notation for 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole?
The canonical SMILES for 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole is c1ccc(-c2c3ccccc3cc3sc(-c4ccc(-c5cccs5)s4)cc23)cc1.
What is the InChIKey of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole?
The InChIKey is WOZLDOHUTRUTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16S3/c1-2-7-17(8-3-1)26-19-10-5-4-9-18(19)15-24-20(26)16-25(29-24)23-13-12-22(28-23)21-11-6-14-27-21/h1-16H.
What are the key properties of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole?
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole has a molecular weight of 424.62 g/mol, XLogP of 9.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole is sourced from PubChem (CID 122373287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).