CAS 1044598-80-2 2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, 95%

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Organic Light-Emitting Diode (OLED) Materials

2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, 95%

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Catalog Number

ACM1044598802

Product Name

2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, 95%

CAS

1044598-80-2

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

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

Molecular Weight

749.2g/mol

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

Complexity

1030

Covalently-Bonded Unit Count

Exact Mass

748.503522g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

748.503522g/mol

Rotatable Bond Count