Structure

TPBi

CAS
192198-85-9
Catalog Number
ACM192198859
Category
Organic Light Emitting Diode (OLED)
Molecular Weight
654.76 g/mol
Molecular Formula
C45H30N6

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Specification

Synonyms
1,3,5-Tris(1-phenyl-1Hbenzimidazol-2-yl)benzene
IUPAC Name
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILES
C1(C2=NC(C=CC=C3)=C3N2C4=CC=CC=C4)=CC(C5=NC(C=CC=C6)=C6N5C7=CC=CC=C7)=CC(C8=NC(C=CC=C9)=C9N8C%10=CC=CC=C%10)=C1
InChI
InChI=1S/C45H30N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30H,GEQBRULPNIVQPP-UHFFFAOYSA-N
InChI Key
GEQBRULPNIVQPP-UHFFFAOYSA-N
Boiling Point
272 - 277 °C
Melting Point
272-277 °C
Application
Used in OLED's devices as electron transport and exciton blocking materials.
Storage
room temp
Complexity
980
Covalently-Bonded Unit Count
1
Exact Mass
654.253195g/mol
Formal Charge
0
Grade
Sublimed >99.8% / Sublimed >99.5%
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
51
MDL Number
MFCD08276433
Monoisotopic Mass
654.253195g/mol
Packaging
500 mg in poly bottle
PL Peak
370 nm (in THF)
Rotatable Bond Count
6
TGA
>330 ℃ (0.5% weight loss)
UV Peak
305 nm (in THF)
XLogP3
10.4

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