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3-(Diphenylamino)dibenzo[g,p]chrysene

Catalog Number
ACM1397202775-1
CAS Number
1397202-77-5
Product Name
3-(Diphenylamino)dibenzo[g,p]chrysene
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
3-DPADBC
IUPAC Name
N,N-diphenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaen-5-amine
Molecular Weight
495.63
Molecular Formula
C38H25N
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84
InChI
InChI=1S/C38H25N/c1-3-13-26(14-4-1)39(27-15-5-2-6-16-27)28-23-24-35-36(25-28)31-19-9-12-22-34(31)37-32-20-10-7-17-29(32)30-18-8-11-21-33(30)38(35)37/h1-25H
InChI Key
UNHRFJSSMJBBLW-UHFFFAOYSA-N
Boiling Point
230.0 - 237.0 °C
Melting Point
234 °C
Purity
95%+
Appearance
White to Light yellow to Green powder to crystal
Storage
Store under inert gas
Complexity
790
Covalently-Bonded Unit Count
1
Exact Mass
495.1987g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
39
MDL Number
MFCD00004142
Monoisotopic Mass
495.1987g/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
3
Signal Word
Warning
XLogP3
11.4
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