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1,3,5-tris(N-phenylbenzimidazol-2-yl)benzene

Catalog Number
ACM192198859-3
CAS Number
192198-85-9
Product Name
1,3,5-tris(N-phenylbenzimidazol-2-yl)benzene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
Molecular Weight
654.8g/mol
Molecular Formula
C45H30N6
Canonical SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=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
InChI Key
GEQBRULPNIVQPP-UHFFFAOYSA-N
Complexity
980
Covalently-Bonded Unit Count
1
Exact Mass
654.253195g/mol
Formal Charge
0
Heavy Atom Count
51
Monoisotopic Mass
654.253195g/mol
Rotatable Bond Count
6
XLogP3
10.4
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