CAS 147951-36-8 1,3,5-Tris[4-(diphenylamino)phenyl]benzene

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Organic Light-Emitting Diode (OLED) Materials

1,3,5-Tris[4-(diphenylamino)phenyl]benzene

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Catalog Number

ACM147951368-2

Product Name

1,3,5-Tris[4-(diphenylamino)phenyl]benzene

CAS

147951-36-8

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

4-[3,5-Bis[4-(N-Phenylanilino)Phenyl]Phenyl]-N,N-Diphenylaniline

IUPAC Name

4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline

Molecular Weight

808.04

Molecular Formula

C60H45N3

Canonical SMILES

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

InChI

InChI=1S/C60H45N3/c1-7-19-52(20-8-1)61(53-21-9-2-10-22-53)58-37-31-46(32-38-58)49-43-50(47-33-39-59(40-34-47)62(54-23-11-3-12-24-54)55-25-13-4-14-26-55)45-51(44-49)48-35-41-60(42-36-48)63(56-27-15-5-16-28-56)57-29-17-6-18-30-57/h1-45H

InChI Key

XVMUGTFNHXHZIP-UHFFFAOYSA-N

Melting Point

233 °C

Purity

95%+

Appearance

White to Light yellow powder to crystal

Storage

Store under inert gas

Complexity

1050

Covalently-Bonded Unit Count

Exact Mass

807.361348g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD00228123

Monoisotopic Mass

807.361348g/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

16.5

MSDS

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COA

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Spec Sheet

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