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1,3,5-Tris[4-(9-carbazolyl)phenyl]benzene, ≥98%

Catalog Number
ACM160780825
CAS Number
160780-82-5
Product Name
1,3,5-Tris[4-(9-carbazolyl)phenyl]benzene, ≥98%
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
Molecular Weight
802g/mol
Molecular Formula
C60H39N3
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC(=CC(=C5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21
InChI
InChI=1S/C60H39N3/c1-7-19-55-49(13-1)50-14-2-8-20-56(50)61(55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-57-21-9-3-15-51(57)52-16-4-10-22-58(52)62)39-45(38-43)42-29-35-48(36-30-42)63-59-23-11-5-17-53(59)54-18-6-12-24-60(54)63/h1-39H
InChI Key
XCICDYGIJBPNPC-UHFFFAOYSA-N
Complexity
1250
Covalently-Bonded Unit Count
1
Exact Mass
801.314398g/mol
Formal Charge
0
Heavy Atom Count
63
Monoisotopic Mass
801.314398g/mol
Rotatable Bond Count
6
XLogP3
16
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