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  • 1,3-Bis[4-(dimethylamino)phenyl]-2,4-dihydroxycyclobutenediylium dihydroxide, bis(inner salt)

  • 1,3-Bis[4-(dimethylamino)phenyl]-2,4-dihydroxycyclobutenediylium dihydroxide, bis(inner salt)

    Catalog Number
    ACM43134094-1
    CAS Number
    43134-09-4
    Product Name
    1,3-Bis[4-(dimethylamino)phenyl]-2,4-dihydroxycyclobutenediylium dihydroxide, bis(inner salt)
    Structure
    Category
    Organic Solar Cell (OPV) Materials
    Synonyms
    Squarylium dye III
    Description
    1,3-Bis[4-(dimethylamino)phenyl]-2,4-dihydroxycyclobutenediylium dihydroxide, bis(inner salt) is an organic dye with an electron withdrawing squaraine as the central group and strong electron donating dimethylaminophenyl groups. It is majorly utilized in the development of organic electronic devices.
    IUPAC Name
    2-[4-(dimethylamino)phenyl]-4-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate
    Molecular Weight
    320.4g/mol
    Molecular Formula
    C20H20N2O2
    Canonical SMILES
    CN(C)c1ccc(cc1)C2=C([O-])C(=C3/C=CC(\C=C3)=[N+](\C)C)\C2=O
    InChI
    1S/C20H20N2O2/c1-21(2)15-9-5-13(6-10-15)17-19(23)18(20(17)24)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3
    InChI Key
    HERJDZWHZQOZLU-UHFFFAOYSA-N
    Melting Point
    >300 °C
    Storage
    room temp
    Complexity
    613
    Composition
    Dye content, 90%
    Covalently-Bonded Unit Count
    1
    Exact Mass
    320.152478g/mol
    Formal Charge
    0
    Heavy Atom Count
    24
    MDL Number
    MFCD00142504
    Monoisotopic Mass
    320.152478g/mol
    NSC Number
    125878
    Packaging
    1 g in glass bottle
    Rotatable Bond Count
    2
    XLogP3
    2.7
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