2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene

C24H20O2S2 — CID 102027046

IUPAC2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene
SMILESCOc1ccc(/C=C/c2cc3sc(/C=C/c4ccc(OC)cc4)cc3s2)cc1
InChIInChI=1S/C24H20O2S2/c1-25-19-9-3-17(4-10-19)7-13-21-15-23-24(27-21)16-22(28-23)14-8-18-5-11-20(26-2)12-6-18/h3-16H,1-2H3/b13-7+,14-8+
InChIKeyNFRKEIZKGQUULZ-FNCQTZNRSA-N
MW404.56 g/mol
LogP7.32
Rot. Bonds6

About 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene

2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene (PubChem CID 102027046) has the molecular formula C24H20O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene
PubChem CID102027046
Molecular FormulaC24H20O2S2
Molecular Weight404.56 g/mol
Exact Mass404.09
IUPAC Name2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene
SMILESCOc1ccc(/C=C/c2cc3sc(/C=C/c4ccc(OC)cc4)cc3s2)cc1
InChIInChI=1S/C24H20O2S2/c1-25-19-9-3-17(4-10-19)7-13-21-15-23-24(27-21)16-22(28-23)14-8-18-5-11-20(26-2)12-6-18/h3-16H,1-2H3/b13-7+,14-8+
InChIKeyNFRKEIZKGQUULZ-FNCQTZNRSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
2-[2-(4-methylphenyl)ethenyl]-5-[2-[2-(4-methylphenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]sulfanylthieno[3,2-b]thiophene
CID 72543240
1-methoxy-4-prop-1-enylbenzene
CID 67322568
3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenolate
CID 58231598
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 101211712
sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
CID 173047029

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene (CID 102027046) is 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene is COc1ccc(/C=C/c2cc3sc(/C=C/c4ccc(OC)cc4)cc3s2)cc1.
What is the InChIKey of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene?
The InChIKey is NFRKEIZKGQUULZ-FNCQTZNRSA-N. The full InChI is InChI=1S/C24H20O2S2/c1-25-19-9-3-17(4-10-19)7-13-21-15-23-24(27-21)16-22(28-23)14-8-18-5-11-20(26-2)12-6-18/h3-16H,1-2H3/b13-7+,14-8+.
What are the key properties of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene?
2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene has a molecular weight of 404.56 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]thieno[3,2-b]thiophene is sourced from PubChem (CID 102027046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).