3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione - CAS 1000623-98-2
Catalog: |
BB000056 |
Product Name: |
3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione |
CAS: |
1000623-98-2 |
Synonyms: |
1,4-bis(5-bromo-2-thiophenyl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione; 1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione |
IUPAC Name: | 1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione |
Description: | 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS# 1000623-98-2) is used to improve the performance of polymer solar cells. |
Molecular Weight: | 907.00 |
Molecular Formula: | C46H70Br2N2O2S2 |
Canonical SMILES: | CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br |
InChI: | InChI=1S/C46H70Br2N2O2S2/c1-5-9-13-17-19-23-27-35(25-21-15-11-7-3)33-49-43(37-29-31-39(47)53-37)41-42(45(49)51)44(38-30-32-40(48)54-38)50(46(41)52)34-36(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-32,35-36H,5-28,33-34H2,1-4H3 |
InChI Key: | MNALLGNMYJQSHP-UHFFFAOYSA-N |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD28098664 |
LogP: | 16.20900 |
Publication Number | Title | Priority Date |
JP-2020111737-A | Conjugated polymer, film forming composition, organic thin film, and organic semiconductor device | 20190109 |
US-2017229657-A1 | Sorting of carbon nanotubes | 20140812 |
WO-2016024196-A1 | Sorting of carbon nanotubes | 20140812 |
US-2016248021-A1 | Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells | 20130823 |
US-9917260-B2 | Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells | 20130823 |
Complexity: | 1100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 906.3225 |
Formal Charge: | 0 |
Heavy Atom Count: | 54 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 904.32455 |
Rotatable Bond Count: | 30 |
Topological Polar Surface Area: | 97.1 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 18.6 |
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