4,4',4''-Tris(diphenylamino)triphenylamine
Catalog Number
ACM105389364-2
CAS
105389-36-4
IUPAC Name
1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
Synonyms
TDATA
Molecular Weight
746.96
Molecular Formula
C54H42N4
Product Information
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9
Inchi
InChI=1S/C54H42N4/c1-7-19-43(20-8-1)55(44-21-9-2-10-22-44)49-31-37-52(38-32-49)58(53-39-33-50(34-40-53)56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54-41-35-51(36-42-54)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-42H
InChIKey
IYZMXHQDXZKNCY-UHFFFAOYSA-N
Melting Point
247 °C
Purity
>97.0%(HPLC)(N)
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
933
Condition To Avoid
Air Sensitive
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
58
MDL Number
MFCD01310677
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Reaxys Registry Number
6036160
Rotatable Bond Count
12
Monoisotopic Mass
746.340947g/mol
Exact Mass
746.340947g/mol
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