CAS 1185885-86-2 (2,5-bis(2-ethylhexyl)-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-ethylhexyl)-3,6-di(thiophen-2-yl) pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione )

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Catalog Number

ACM1185885862-1

Product Name

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

Structure

CAS

1185885-86-2

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

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

Molecular Weight

524.8g/mol

Molecular Formula

C30H40N2O2S2

Canonical SMILES

CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=CS3)C1=O)C4=CC=CS4

InChI

InChI=1S/C30H40N2O2S2/c1-5-9-13-21(7-3)19-31-27(23-15-11-17-35-23)25-26(29(31)33)28(24-16-12-18-36-24)32(30(25)34)20-22(8-4)14-10-6-2/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3

InChI Key

BTJNHAWTSFHBBN-UHFFFAOYSA-N

Complexity

797

Covalently-Bonded Unit Count

Exact Mass

524.253121g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

524.253121g/mol

Rotatable Bond Count