2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene

C24H16S5 — CID 102204980

IUPAC2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene
SMILESC(=C(c1cccs1)c1cccs1)c1ccc(C=C(c2cccs2)c2cccs2)s1
InChIInChI=1S/C24H16S5/c1-5-21(25-11-1)19(22-6-2-12-26-22)15-17-9-10-18(29-17)16-20(23-7-3-13-27-23)24-8-4-14-28-24/h1-16H
InChIKeyBYOWBPXZKQNVAY-UHFFFAOYSA-N
MW464.73 g/mol
LogP9.17
Rot. Bonds6

About 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene

2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene (PubChem CID 102204980) has the molecular formula C24H16S5 and a molecular weight of 464.73 g/mol. Its IUPAC name is 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene
PubChem CID102204980
Molecular FormulaC24H16S5
Molecular Weight464.73 g/mol
Exact Mass463.99
IUPAC Name2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene
SMILESC(=C(c1cccs1)c1cccs1)c1ccc(C=C(c2cccs2)c2cccs2)s1
InChIInChI=1S/C24H16S5/c1-5-21(25-11-1)19(22-6-2-12-26-22)15-17-9-10-18(29-17)16-20(23-7-3-13-27-23)24-8-4-14-28-24/h1-16H
InChIKeyBYOWBPXZKQNVAY-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.73
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-1-phenyl-2-thiophen-2-ylethenyl]thiophene
CID 102409293
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
2-[1-phenyl-2-[2-[2-[2-[2-[2-(2-phenyl-2-thiophen-2-ylethenyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 59120118
1-pyrrol-1-yl-2-thiophen-2-ylethane-1,2-dione
CID 174641715
[5-[(3E)-3,4-dithiophen-2-yl-1-(5-trimethylstannylthiophen-2-yl)buta-1,3-dien-2-yl]thiophen-2-yl]-trimethylstannane
CID 87396530
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
2-buta-1,3-dien-2-ylthiophene
CID 58963888
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene?
The IUPAC name of 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene (CID 102204980) is 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene.
What is the SMILES notation for 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene?
The canonical SMILES for 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene is C(=C(c1cccs1)c1cccs1)c1ccc(C=C(c2cccs2)c2cccs2)s1.
What is the InChIKey of 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene?
The InChIKey is BYOWBPXZKQNVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S5/c1-5-21(25-11-1)19(22-6-2-12-26-22)15-17-9-10-18(29-17)16-20(23-7-3-13-27-23)24-8-4-14-28-24/h1-16H.
What are the key properties of 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene?
2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene has a molecular weight of 464.73 g/mol, XLogP of 9.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene is sourced from PubChem (CID 102204980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).