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2-(9,9'-Spirobi[fluoren]-2-yl)-4,6-diphenyl-1,3,5-triazine

Catalog Number
ACM1207176848-2
Product Name
2-(9,9'-Spirobi[fluoren]-2-yl)-4,6-diphenyl-1,3,5-triazine
Structure
CAS
1207176-84-8
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
2,4-Diphenyl-6-(9,9'-spirobi[9H-fluoren]-2-yl)-1,3,5-triazine
IUPAC Name
2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
Molecular Weight
547.66
Molecular Formula
C40H25N3
Canonical SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=CC=C9
InChI
InChI=1S/C40H25N3/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40/h1-25H
InChI Key
YMMIMGRBLQBRNC-UHFFFAOYSA-N
Boiling Point
270 °C
Melting Point
270 °C
Purity
95%+
Density
1.37 g/ml
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
903
Covalently-Bonded Unit Count
1
Exact Mass
547.204848g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H318 : Causes serious eye damage.
Heavy Atom Count
43
MDL Number
MFCD00134336
Monoisotopic Mass
547.204848g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.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.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.
Rotatable Bond Count
3
Signal Word
Danger
XLogP3
9.4
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