1T-NATA

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Catalog Number
ACM185690395-2
Product Name
1T-NATA
Structure
Structure
CAS
185690-39-5
Category
Organic Light Emitting Diode (OLED)
Synonyms
4,4',4''-Tris(N-(naphthalen-2-yl)-N-phenyl-amino)-triphenylamine
IUPAC Name
4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
Molecular Weight
897.11 g/mol
Molecular Formula
C66H48N4
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C66H48N4/c1-4-25-52(26-5-1)68(64-34-16-22-49-19-10-13-31-61(49)64)58-43-37-55(38-44-58)67(56-39-45-59(46-40-56)69(53-27-6-2-7-28-53)65-35-17-23-50-20-11-14-32-62(50)65)57-41-47-60(48-42-57)70(54-29-8-3-9-30-54)66-36-18-24-51-21-12-15-33-63(51)66/h1-48H
InChI Key
CRHRWHRNQKPUPO-UHFFFAOYSA-N
Complexity
1360
Covalently-Bonded Unit Count
1
Exact Mass
896.387898g/mol
Formal Charge
0
Grade
Sublimed >99% / Unsublimed >97%
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
70
Monoisotopic Mass
896.387898g/mol
PL Peak
518 nm (in THF)
Rotatable Bond Count
12
TGA
>350 ℃ (0.5% weight loss)
UV Peak
339 nm (in THF)
XLogP3
18.6
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