2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene

C28H24S3 — CID 177473683

IUPAC2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene
SMILESCCc1ccc(-c2sc(-c3ccc(CC)cc3)c(-c3ccsc3)c2-c2ccsc2)cc1
InChIInChI=1S/C28H24S3/c1-3-19-5-9-21(10-6-19)27-25(23-13-15-29-17-23)26(24-14-16-30-18-24)28(31-27)22-11-7-20(4-2)8-12-22/h5-18H,3-4H2,1-2H3
InChIKeyFFKCITRGEZKECI-UHFFFAOYSA-N
MW456.70 g/mol
LogP9.66
Rot. Bonds6

About 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene

2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene (PubChem CID 177473683) has the molecular formula C28H24S3 and a molecular weight of 456.70 g/mol. Its IUPAC name is 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene
PubChem CID177473683
Molecular FormulaC28H24S3
Molecular Weight456.70 g/mol
Exact Mass456.10
IUPAC Name2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene
SMILESCCc1ccc(-c2sc(-c3ccc(CC)cc3)c(-c3ccsc3)c2-c2ccsc2)cc1
InChIInChI=1S/C28H24S3/c1-3-19-5-9-21(10-6-19)27-25(23-13-15-29-17-23)26(24-14-16-30-18-24)28(31-27)22-11-7-20(4-2)8-12-22/h5-18H,3-4H2,1-2H3
InChIKeyFFKCITRGEZKECI-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene?
The IUPAC name of 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene (CID 177473683) is 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene.
What is the SMILES notation for 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene?
The canonical SMILES for 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene is CCc1ccc(-c2sc(-c3ccc(CC)cc3)c(-c3ccsc3)c2-c2ccsc2)cc1.
What is the InChIKey of 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene?
The InChIKey is FFKCITRGEZKECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24S3/c1-3-19-5-9-21(10-6-19)27-25(23-13-15-29-17-23)26(24-14-16-30-18-24)28(31-27)22-11-7-20(4-2)8-12-22/h5-18H,3-4H2,1-2H3.
What are the key properties of 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene?
2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene has a molecular weight of 456.70 g/mol, XLogP of 9.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-ethylphenyl)-3,4-di(thiophen-3-yl)thiophene is sourced from PubChem (CID 177473683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).