CAS 1267540-02-2 2,5-bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

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Organic Light-Emitting Diode (OLED) Materials

2,5-bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

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Catalog Number

ACM1267540022

Product Name

2,5-bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Structure

CAS

1267540-02-2

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

2,5-bis(2-octyldodecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione

Molecular Weight

861.4g/mol

Molecular Formula

C54H88N2O2S2

Canonical SMILES

CCCCCCCCCCC(CCCCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCCCC)CCCCCCCCCC)C3=CC=CS3)C1=O)C4=CC=CS4

InChI

InChI=1S/C54H88N2O2S2/c1-5-9-13-17-21-23-27-31-37-45(35-29-25-19-15-11-7-3)43-55-51(47-39-33-41-59-47)49-50(53(55)57)52(48-40-34-42-60-48)56(54(49)58)44-46(36-30-26-20-16-12-8-4)38-32-28-24-22-18-14-10-6-2/h33-34,39-42,45-46H,5-32,35-38,43-44H2,1-4H3

InChI Key

LTFXMPXYDRPSSF-UHFFFAOYSA-N

Complexity

1150

Covalently-Bonded Unit Count

Exact Mass

860.628722g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

860.628722g/mol

Rotatable Bond Count