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1,3,5-Tris[4-(diphenylamino)phenyl]benzene, ≥95%

Catalog Number
ACM147951368
CAS Number
147951-36-8
Product Name
1,3,5-Tris[4-(diphenylamino)phenyl]benzene, ≥95%
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
Molecular Weight
808g/mol
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
Complexity
1050
Covalently-Bonded Unit Count
1
Exact Mass
807.361348g/mol
Formal Charge
0
Heavy Atom Count
63
Monoisotopic Mass
807.361348g/mol
Rotatable Bond Count
12
XLogP3
16.5
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