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9,9-Bis[4-(1-pyrenyl)phenyl]fluorene, 96%

Catalog Number
ACM1174006473-2
CAS Number
1174006-47-3
Product Name
9,9-Bis[4-(1-pyrenyl)phenyl]fluorene, 96%
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene
Molecular Weight
718.9g/mol
Molecular Formula
C57H34
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C57H34/c1-3-13-51-47(11-1)48-12-2-4-14-52(48)57(51,43-27-19-35(20-28-43)45-31-23-41-17-15-37-7-5-9-39-25-33-49(45)55(41)53(37)39)44-29-21-36(22-30-44)46-32-24-42-18-16-38-8-6-10-40-26-34-50(46)56(42)54(38)40/h1-34H
InChI Key
WHLKCPQPGTUZBU-UHFFFAOYSA-N
Complexity
1300
Covalently-Bonded Unit Count
1
Exact Mass
718.266051g/mol
Formal Charge
0
Heavy Atom Count
57
Monoisotopic Mass
718.266051g/mol
Rotatable Bond Count
4
XLogP3
16.1
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