2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione - CAS 1044598-80-2
Catalog: |
BB001398 |
Product Name: |
2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione |
CAS: |
1044598-80-2 |
Synonyms: |
2,5-bis(2-hexyldecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione; 2,5-bis(2-hexyldecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione |
IUPAC Name: | 2,5-bis(2-hexyldecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione |
Description: | 2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS# 1044598-80-2 ) is a useful research chemical. |
Molecular Weight: | 749.21 |
Molecular Formula: | C46H72N2O2S2 |
Canonical SMILES: | CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=CS3)C1=O)C4=CC=CS4 |
InChI: | InChI=1S/C46H72N2O2S2/c1-5-9-13-17-19-23-29-37(27-21-15-11-7-3)35-47-43(39-31-25-33-51-39)41-42(45(47)49)44(40-32-26-34-52-40)48(46(41)50)36-38(28-22-16-12-8-4)30-24-20-18-14-10-6-2/h25-26,31-34,37-38H,5-24,27-30,35-36H2,1-4H3 |
InChI Key: | ILGXCBVXJXFCGR-UHFFFAOYSA-N |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD29923947 |
LogP: | 14.68400 |
Publication Number | Title | Priority Date |
US-2014299871-A1 | Organic field effect transistor | 20111207 |
US-9978943-B2 | Organic field effect transistor | 20111207 |
WO-2013083507-A1 | An organic field effect transistor | 20111207 |
US-2014217329-A1 | Diketopyrrolopyrrole oligomers and compositions, comprising diketopyrrolopyrrole oligomers | 20110902 |
US-9209412-B2 | Diketopyrrolopyrrole oligomers and compositions, comprising diketopyrrolopyrrole oligomers | 20110902 |
Complexity: | 1030 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 748.50352189 |
Formal Charge: | 0 |
Heavy Atom Count: | 52 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 748.50352189 |
Rotatable Bond Count: | 30 |
Topological Polar Surface Area: | 97.1 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 16.5 |
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