CAS 1393343-58-2 2-[(7-{4-[N,N-Bis(4-methylphenyl)amino]phenyl}-2,1,3-benzothiadiazol-4-yl)methylene]propanedinitrile

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2-[(7-{4-[N,N-Bis(4-methylphenyl)amino]phenyl}-2,1,3-benzothiadiazol-4-yl)methylene]propanedinitrile

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Catalog Number

ACM1393343582-1

Product Name

2-[(7-{4-[N,N-Bis(4-methylphenyl)amino]phenyl}-2,1,3-benzothiadiazol-4-yl)methylene]propanedinitrile

Structure

CAS

1393343-58-2

Category

Organic Field Effect Transistor (OFET) Materials

Synonyms

DTDCPB

Description

2-((7-{4-[N,N-Bis(4-methylphenyl)amino]phenyl}-2,1,3-benzothiadiazol-4-yl)methylene)propanedinitrile (DTDCPB) is a donor-acceptor molecule which can be used in the fabrication of organic electronic devices such as organic solar cells (OSCs) and organic photovoltaics (OPVs).

IUPAC Name

2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]methylidene]propanedinitrile

Molecular Weight

483.59

Molecular Formula

C30H21N5S

Canonical SMILES

Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)-c4ccc(\C=C(/C#N)C#N)c5nsnc45

InChI

1S/C30H21N5S/c1-20-3-10-25(11-4-20)35(26-12-5-21(2)6-13-26)27-14-7-23(8-15-27)28-16-9-24(17-22(18-31)19-32)29-30(28)34-36-33-29/h3-17H,1-2H3,METIWNNPHPBEHP-UHFFFAOYSA-N

InChI Key

METIWNNPHPBEHP-UHFFFAOYSA-N

Melting Point

285-290 °C

Application

7.9% efficient vapor-deposited organic photovoltaic cells base on a simple bulk heterojunctionA vacuum-deposited organic solar cell employing this novel donor-acceptor-acceptor (D-A-A) donor molecule; DTDCPB; combined with the electron acceptor C60/ C70 achieved a record-high power conversion efficiency (PCE) of 6.8%.Device structure:MoO₃ (30nm) / DTDCPB (7nm) / DTDCPB:C70 (40nm) / C70 (7nm) / BCP (10nm) / Ag (150nm)Device performance:• JSC = 13.48 mA/cm² • VOC = 0.95 V• FF = 0.55• PCE = 6.8%

Storage

room temp

Complexity

820

Covalently-Bonded Unit Count

Exact Mass

483.151767g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD24849728

Monoisotopic Mass