CAS 1267603-73-5 NEO-823, ≥98% - Materials / Alfa Chemistry

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Organic Light-Emitting Diode (OLED) Materials

NEO-823, ≥98%

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Catalog Number

ACM1267603735

Product Name

NEO-823, ≥98%

Structure

CAS

1267603-73-5

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

2-[3-cyano-4-[(E)-2-[5-[(E)-2-[4-(dibutylamino)-2-phenylmethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile

Molecular Weight

744.9g/mol

Molecular Formula

C44H39F3N4O2S

Canonical SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)C=CC2=CC=C(S2)C=CC3=C(C(=C(C#N)C#N)OC3(C4=CC=CC=C4)C(F)(F)F)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C44H39F3N4O2S/c1-3-5-25-51(26-6-4-2)36-19-17-33(41(27-36)52-31-32-13-9-7-10-14-32)18-20-37-21-22-38(54-37)23-24-40-39(30-50)42(34(28-48)29-49)53-43(40,44(45,46)47)35-15-11-8-12-16-35/h7-24,27H,3-6,25-26,31H2,1-2H3/b20-18+,24-23+

InChI Key

SXFGKYGUYHUANQ-NRJODPMSSA-N

Complexity

1500

Covalently-Bonded Unit Count

Exact Mass

744.274582g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

744.274582g/mol

Rotatable Bond Count