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2,7-Di(1-pyrenyl)-9,9'-spirobi[9H-fluorene]

Catalog Number
ACM886456800-1
CAS Number
886456-80-0
Product Name
2,7-Di(1-pyrenyl)-9,9'-spirobi[9H-fluorene]
Structure
Category
Electronic Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
2,7-Di-Pyrenyl-9,9-Spirobifluorene
IUPAC Name
2',7'-di(pyren-1-yl)-9,9'-spirobi[fluorene]
Molecular Weight
716.88
Molecular Formula
C57H32
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C4C=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C57H32/c1-3-13-49-43(11-1)44-12-2-4-14-50(44)57(49)51-31-39(41-25-19-37-17-15-33-7-5-9-35-21-29-47(41)55(37)53(33)35)23-27-45(51)46-28-24-40(32-52(46)57)42-26-20-38-18-16-34-8-6-10-36-22-30-48(42)56(38)54(34)36/h1-32H
InChI Key
MJXRNMQMLMXICM-UHFFFAOYSA-N
Boiling Point
399 °C
Melting Point
275 °C
Purity
95%+
Appearance
Light yellow to Brown powder to crystal
Storage
Store under inert gas
Complexity
1380
Covalently-Bonded Unit Count
1
Exact Mass
716.250401g/mol
Formal Charge
0
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
57
MDL Number
MFCD12022456
Monoisotopic Mass
716.250401g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Rotatable Bond Count
2
Signal Word
Danger
XLogP3
15.8
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