![structure of 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/95/1000623-95-9.svg)
3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
CAS No.:
1000623-95-9
M. Wt:
682.573
M. Fa:
C30H38Br2N2O2S2
InChI Key:
JVVGLKKTAZYUQU-UHFFFAOYSA-N
Appearance:
Purple Solid
Names and Identifiers of 1000623-95-9
CAS Number |
1000623-95-9 |
|---|---|
IUPAC Name |
1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione |
InChI |
InChI=1S/C30H38Br2N2O2S2/c1-5-9-11-19(7-3)17-33-27(21-13-15-23(31)37-21)25-26(29(33)35)28(22-14-16-24(32)38-22)34(30(25)36)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3 |
InChIKey |
JVVGLKKTAZYUQU-UHFFFAOYSA-N |
Canonical SMILES |
CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br |
Physical and chemical properties of 1000623-95-9
Acidity coefficient |
-5.35±0.60(Predicted) |
|---|---|
Boiling Point |
742.2±60.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
680.074158 |
Flash Point |
402.7±32.9 °C |
Index of Refraction |
1.634 |
LogP |
12.81 |
Molecular Formula |
C30H38Br2N2O2S2 |
Molecular Weight |
682.573 |
Odor |
Dark red/purple solid |
PSA |
100.48000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2–8 °C |
Vapour Pressure |
0.0±2.5 mmHg at 25°C |
Safety Information of 1000623-95-9
Applications of 1000623-95-9
This compound has several applications primarily in the field of organic electronics:
- Organic Photovoltaics: It serves as a building block for donor-acceptor copolymers that improve light absorption and charge transport.
- Organic Field Effect Transistors (OFETs): Its electronic properties make it suitable for use in high-performance transistors.
- Sensors: The compound's ability to undergo redox reactions makes it a candidate for sensor applications.
The incorporation of long alkyl chains enhances solubility and film-forming properties essential for device fabrication .
Interaction Studies of 1000623-95-9
Interaction studies involving 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione often focus on:
- Charge Transport Mechanisms: Investigating how the molecular structure influences charge mobility in devices.
- Solvent Interactions: Understanding how different solvents affect the solubility and aggregation behavior of thin films.
These studies are crucial for optimizing device performance and stability .
Biological Activity of 1000623-95-9
While specific biological activity data for 3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione is limited, compounds within the pyrrolo[3,4-c]pyrrole class have been studied for their potential as:
- Antitumor Agents: Some derivatives exhibit cytotoxicity against cancer cell lines.
- Antibacterial Activity: Related compounds have shown promise in inhibiting bacterial growth.
Further studies are required to elucidate the specific biological effects of this compound .
Physical sample testing spectrum (NMR) of 1000623-95-9
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