Molecular Structure of 4,4'4''-Tris(N,N-diphenylamino)triphenylamine (CAS NO.105389-36-4):

Systematic Name: N,N-Bis[4-(diphenylamino)phenyl]-N',N'-diphenylbenzene-1,4-diamine 
Molecular Formula: C₅₄H₄₂N₄
Molecular Weight: 746.92
Melting Point: 247-249 °C
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 12
Index of Refraction: 1.716
Molar Refractivity: 241.628 cm³
Molar Volume: 614.074 cm³
Surface Tension: 57.504 dyne/cm
Density: 1.216 g/cm³
Product Categories: electronic
SMILES: c9c(N(c3ccc(N(c1ccccc1)c2ccccc2)cc3)c4ccc(cc4)N(c5ccccc5)c6ccccc6)ccc(N(c7ccccc7)c8ccccc8)c9
InChI: InChI=1/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-UHFFFAOYAA

Safety Information of 4,4'4''-Tris(N,N-diphenylamino)triphenylamine (CAS NO.105389-36-4):
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

 4,4'4''-Tris(N,N-diphenylamino)triphenylamine (CAS NO.105389-36-4), its Synonyms are TDATA ; TDTAT ; 1,4-Benzenediamine,N1,N1-bis[4-(diphenylamino)phenyl]-N4,N4-diphenyl- ; 1,4-Benzenediamine,N,N-bis[4-(diphenylamino)phenyl]-N',N'-diphenyl- (9CI) ; 4,4',4''-Tris(diphenylamino)triphenylamine .