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2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene

Catalog Number
ACM7128645-2
CAS Number
7128-64-5
Product Name
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
Structure
Category
Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
BBOT (purified by sublimation)
Description
DryPowder; OtherSolid
IUPAC Name
5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
Molecular Weight
430.57
Molecular Formula
C26H26N2O2S
Canonical SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C
InChI
InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
InChI Key
AIXZBGVLNVRQSS-UHFFFAOYSA-N
Melting Point
202 °C
Purity
>99.0%(HPLC)(N)
Appearance
White to Light yellow to Green powder to crystal
Storage
Store under inert gas
Complexity
590
Covalently-Bonded Unit Count
1
EC Number
230-426-4
Exact Mass
430.171499g/mol
Formal Charge
0
Heavy Atom Count
31
MDL Number
MFCD00005774
MeSH Entry Terms
2,5-bis(5-tert-butylbenzoxazol-2-yl)thiophene
Monoisotopic Mass
430.171499g/mol
NSC Number
158163
Rotatable Bond Count
4
UNII
W7UR9129GP
XLogP3
8
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