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2,2'':7'',2''''-Ter-9,9'-spirobi[9H-fluorene]

Catalog Number
ACM518997916-2
CAS Number
518997-91-6
Product Name
2,2'':7'',2''''-Ter-9,9'-spirobi[9H-fluorene]
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
TSBF
IUPAC Name
2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]
Molecular Weight
945.18
Molecular Formula
C75H44
Canonical SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)C7=CC8=C(C=C7)C9=C(C81C2=CC=CC=C2C2=CC=CC=C12)C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12
InChI
InChI=1S/C75H44/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-7-23-55(65)57-37-33-45(41-69(57)73)47-35-39-59-60-40-36-48(44-72(60)75(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)75)46-34-38-58-56-24-8-14-30-66(56)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-44H
InChI Key
BFDFHGPJXDFXBA-UHFFFAOYSA-N
Melting Point
457 °C
Purity
>98.0%(HPLC)
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
1900
Covalently-Bonded Unit Count
1
Exact Mass
944.344301g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
75
MDL Number
MFCD12022449
Monoisotopic Mass
944.344301g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
2
Signal Word
Warning
XLogP3
18.5
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