4,7-bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluorobenzo[c][1,2,5]thiadiazole

Name: 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluorobenzo[c][1,2,5]thiadiazole
SKU: ACMA00016197
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Catalog NumberACMA00016197

CategoryOrganic Light-Emitting Diode (OLED) Materials

IUPAC Name

4,7-bis(5-bromo-4-hexylthiophen-2-yl)-5,6-difluoro-2,1,3-benzothiadiazole

Molecular Weight

662.5g/mol

Molecular Formula

C26H28Br2F2N2S3

Canonical SMILES

CCCCCCC1=C(SC(=C1)C2=C(C(=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCC)F)F)Br

InChI

InChI=1S/C26H28Br2F2N2S3/c1-3-5-7-9-11-15-13-17(33-25(15)27)19-21(29)22(30)20(24-23(19)31-35-32-24)18-14-16(26(28)34-18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3

InChI Key

XJWNRSCLIAJISP-UHFFFAOYSA-N

Complexity

602

Covalently-Bonded Unit Count

Exact Mass

661.97289g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

659.97494g/mol

Rotatable Bond Count

XLogP3

12.7

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