CAS 1000623-98-2 2,5-Di(HD)-3,6-di(5-broMothiophen)diketopyrrolopyrrole, 95%

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Organic Light-Emitting Diode (OLED) Materials

2,5-Di(HD)-3,6-di(5-broMothiophen)diketopyrrolopyrrole, 95%

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Catalog Number

ACM1000623982-1

Product Name

2,5-Di(HD)-3,6-di(5-broMothiophen)diketopyrrolopyrrole, 95%

Structure

CAS

1000623-98-2

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Molecular Weight

907g/mol

Molecular Formula

C46H70Br2N2O2S2

Canonical SMILES

CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)Br

InChI

InChI=1S/C46H70Br2N2O2S2/c1-5-9-13-17-19-23-27-35(25-21-15-11-7-3)33-49-43(37-29-31-39(47)53-37)41-42(45(49)51)44(38-30-32-40(48)54-38)50(46(41)52)34-36(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-32,35-36H,5-28,33-34H2,1-4H3

InChI Key

MNALLGNMYJQSHP-UHFFFAOYSA-N

Complexity

1100

Covalently-Bonded Unit Count

Exact Mass

906.3225g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

904.32455g/mol

Rotatable Bond Count