3-(5-Bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-6-(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione

Name: 3-(5-Bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-6-(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione
SKU: ACM1308671900
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Catalog NumberACM1308671900

CAS Number1308671-90-0

CategorySmall Molecule Semiconductor Building Blocks; Semiconductor Blocks

3-(5-Bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-6-(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione

IUPAC Name

4-(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione

Molecular Weight

603.7g/mol

Molecular Formula

C30H39BrN2O2S2

Canonical SMILES

CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)Br)C1=O)C4=CC=CS4

InChI

InChI=1S/C30H39BrN2O2S2/c1-5-9-12-20(7-3)18-32-27(22-14-11-17-36-22)25-26(30(32)35)28(23-15-16-24(31)37-23)33(29(25)34)19-21(8-4)13-10-6-2/h11,14-17,20-21H,5-10,12-13,18-19H2,1-4H3

InChI Key

IUJFPKGBQVGKRW-UHFFFAOYSA-N

Complexity

904

Covalently-Bonded Unit Count

Exact Mass

602.16363g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

602.16363g/mol

Rotatable Bond Count

XLogP3

8.9

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