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

Catalog NumberACM43134094-1

CAS Number43134-09-4

CategoryOrganic Solar Cell (OPV) Materials

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