CAS 916061-87-5 9,9-Bis[4-[di(2-naphthyl)amino]phenyl]fluorene

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Organic Light-Emitting Diode (OLED) Materials

9,9-Bis[4-[di(2-naphthyl)amino]phenyl]fluorene

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Catalog Number

ACM916061875-1

Product Name

9,9-Bis[4-[di(2-naphthyl)amino]phenyl]fluorene

Structure

CAS

916061-87-5

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

N-[4-[9-[4-(Dinaphthalen-2-Ylamino)Phenyl]Fluoren-9-Yl]Phenyl]-N-Naphthalen-2-Ylnaphthalen-2-Amine

IUPAC Name

N-[4-[9-[4-(dinaphthalen-2-ylamino)phenyl]fluoren-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

Molecular Weight

853.08

Molecular Formula

C65H44N2

Canonical SMILES

C1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=C(C=C7)N(C8=CC9=CC=CC=C9C=C8)C1=CC2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C65H44N2/c1-5-17-49-41-57(33-25-45(49)13-1)66(58-34-26-46-14-2-6-18-50(46)42-58)55-37-29-53(30-38-55)65(63-23-11-9-21-61(63)62-22-10-12-24-64(62)65)54-31-39-56(40-32-54)67(59-35-27-47-15-3-7-19-51(47)43-59)60-36-28-48-16-4-8-20-52(48)44-60/h1-44H

InChI Key

PKQHEBAYOGHIPX-UHFFFAOYSA-N

Melting Point

267 °C

Purity

95%+

Appearance

White to Yellow to Green powder to crystal

Storage

Store under inert gas

Complexity

1400

Covalently-Bonded Unit Count

Exact Mass

852.350449g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD06797058

Monoisotopic Mass

852.350449g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

18.1

MSDS

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COA

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Spec Sheet

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