Ir(BT)2(acac)

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Catalog Number
ACM337526882
Product Name
Ir(BT)2(acac)
Structure
Structure
CAS
337526-88-2
Category
Organic Light Emitting Diode (OLED)
Synonyms
Bis(2-phenylbenzothiazolato)(acetylacetonate)iridium(III)
IUPAC Name
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-1,3-benzothiazole
Molecular Weight
711.87 g/mol
Molecular Formula
C31H23IrN2O2S2
Canonical SMILES
O=C(C)/C=C(C)\O[Ir](C1=C(C2=NC=CC=C2)SC3=C1C=CC=C3)C4=C(C5=NC=CC=C5)SC6=C4C=CC=C6
InChI
1S/2C13H8NS.C5H8O2.Ir/c2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-4(6)3-5(2)7;/h2*1-8H;3,6H,1-2H3;/q;;;+1/p-1/b;;4-3-;,OUCQDKGXSKZJFL-DVACKJPTSA-M
InChI Key
OUCQDKGXSKZJFL-DVACKJPTSA-M
Storage
room temp
Complexity
947
Covalently-Bonded Unit Count
4
Exact Mass
713.09084g/mol
Formal Charge
-2
Grade
Sublimed >98.5% / Unsublimed >97%
H-Bond Acceptor
8
H-Bond Donor
1
Heavy Atom Count
38
MDL Number
MFCD09038723
Monoisotopic Mass
713.09084g/mol
PL Peak
563 nm (in THF)
Rotatable Bond Count
3
TGA
>270 ℃ (0.5% weight loss)
UV Peak
271 nm (in THF)
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