3,6-Bis(5-bromo-2-thienyl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione - CAS 1057401-13-4
Catalog: |
BB001700 |
Product Name: |
3,6-Bis(5-bromo-2-thienyl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione |
CAS: |
1057401-13-4 |
Synonyms: |
1,4-bis(5-bromo-2-thiophenyl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-3,6-dione; 1,4-bis(5-bromothiophen-2-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-3,6-dione |
IUPAC Name: | 1,4-bis(5-bromothiophen-2-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-3,6-dione |
Description: | 3,6-Bis(5-bromo-2-thienyl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS# 1057401-13-4) is a useful research chemical compound. |
Molecular Weight: | 682.57 |
Molecular Formula: | C30H38Br2N2O2S2 |
Canonical SMILES: | CCCCCCCCN1C(=C2C(=C(N(C2=O)CCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br |
InChI: | InChI=1S/C30H38Br2N2O2S2/c1-3-5-7-9-11-13-19-33-27(21-15-17-23(31)37-21)25-26(29(33)35)28(22-16-18-24(32)38-22)34(30(25)36)20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3 |
InChI Key: | LVCBYFZCUVYBPP-UHFFFAOYSA-N |
Density: | 1.45 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Store in freezer, under -20 °C |
LogP: | 10.25560 |
Publication Number | Title | Priority Date |
JP-2020111737-A | Conjugated polymer, film forming composition, organic thin film, and organic semiconductor device | 20190109 |
US-2020141868-A1 | Size controllable conjugated polymer nanoparticles with fluorescence in the spectral range between far-red and short-wavelength infrared | 20170714 |
JP-WO2016039063-A1 | Photoelectric conversion element and organic semiconductor compound used therefor | 20140911 |
WO-2016039063-A1 | Photoelectric conversion element and organic semiconductor compound used in same | 20140911 |
CN-105992787-B | Organic semiconductor material | 20140214 |
Complexity: | 837 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 682.0721 |
Formal Charge: | 0 |
Heavy Atom Count: | 38 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 680.07415 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 97.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 10.5 |
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