CAS 142894-38-0 1,3,5-Tris[4-[bis(4-methoxyphenyl)amino]phenyl]benzene

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1,3,5-Tris[4-[bis(4-methoxyphenyl)amino]phenyl]benzene

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Catalog Number

ACM142894380-2

Product Name

1,3,5-Tris[4-[bis(4-methoxyphenyl)amino]phenyl]benzene

CAS

142894-38-0

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

4-[3,5-Bis[4-(4-Methoxy-N-(4-Methoxyphenyl)Anilino)Phenyl]Phenyl]-N,N-Bis(4-Methoxyphenyl)Aniline

IUPAC Name

4-[3,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methoxyphenyl)aniline

Molecular Weight

988.20

Molecular Formula

C66H57N3O6

Canonical SMILES

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC

InChI

InChI=1S/C66H57N3O6/c1-70-61-31-19-55(20-32-61)67(56-21-33-62(71-2)34-22-56)52-13-7-46(8-14-52)49-43-50(47-9-15-53(16-10-47)68(57-23-35-63(72-3)36-24-57)58-25-37-64(73-4)38-26-58)45-51(44-49)48-11-17-54(18-12-48)69(59-27-39-65(74-5)40-28-59)60-29-41-66(75-6)42-30-60/h7-45H,1-6H3

InChI Key

GMEQIEASMOFEOC-UHFFFAOYSA-N

Melting Point

233 °C

Purity

95%+

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Complexity

1310

Covalently-Bonded Unit Count

Exact Mass

987.424737g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00228123

Monoisotopic Mass

987.424737g/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

Signal Word

Warning

XLogP3

16.3

MSDS

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COA

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Spec Sheet

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