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1,3,5-Tris[(3-methylphenyl)phenylamino]benzene

Catalog Number
ACM138143234-2
CAS Number
138143-23-4
Product Name
1,3,5-Tris[(3-methylphenyl)phenylamino]benzene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1-N,3-N,5-N-tris(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
Molecular Weight
621.81
Molecular Formula
C45H39N3
Canonical SMILES
Cc1cccc(c1)N(c2ccccc2)c3cc(cc(c3)N(c4ccccc4)c5cccc(C)c5)N(c6ccccc6)c7cccc(C)c7
InChI
1S/C45H39N3/c1-34-16-13-25-40(28-34)46(37-19-7-4-8-20-37)43-31-44(47(38-21-9-5-10-22-38)41-26-14-17-35(2)29-41)33-45(32-43)48(39-23-11-6-12-24-39)42-27-15-18-36(3)30-42/h4-33H,1-3H3,HKDGIZZHRDSLHF-UHFFFAOYSA-N
InChI Key
HKDGIZZHRDSLHF-UHFFFAOYSA-N
Melting Point
184-188 °C
Storage
room temp
Assay
0.97
Complexity
802
Covalently-Bonded Unit Count
1
Exact Mass
621.314398g/mol
Formal Charge
0
Heavy Atom Count
48
MDL Number
MFCD08276844
Monoisotopic Mass
621.314398g/mol
Packaging
1, 10 g in poly bottle
Rotatable Bond Count
9
XLogP3
12.7
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