CAS No.185690-41-9,4,4',4''-Tris[2-naphthyl(phenyl)amino]triphenylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	185690-41-9
Name:	4,4',4''-Tris[2-naphthyl(phenyl)amino]triphenylamine

Formula:	C₆₆H₄₈N₄
Molecular Weight:	897.134
Synonyms:	1,4-Benzenediamine,N-2-naphthalenyl-N',N'-bis[4-(2-naphthalenylphenylamino)phenyl]-N-phenyl-(9CI);4,4',4''-Tris(N-2-naphthyl-N-phenyl-amino)triphenylamine;4,4',4''-Tris[N,N-(2-naphthyl)phenylamino]triphenylamine;
EINECS:	691-490-0
Density:	1.252 g/cm³
Melting Point:	242-246 °C
PSA:	12.96000
LogP:	19.02540

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Specification

The 4,4',4''-Tris[2-naphthyl(phenyl)amino]triphenylamine, with the CAS registry number 185690-41-9, is also known as 1-N,1-N'-Dinaphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N,1-N',4-N-triphenylcyclohexa-2,4-diene-1,1,4-triamine. It belongs to the product categories of Electronic; Amines; Yellow Crystalline Powder; Oled Materials. This chemical's molecular formula is C₆₆H₄₈N₄ and molecular weight is 897.11. What's more, its systematic name is called N-(2-Naphthyl)-N',N'-bis{4-[2-naphthyl(phenyl)amino]phenyl}-N-phenyl-1,4-benzenediamine.

Physical properties about 4,4',4''-Tris[2-naphthyl(phenyl)amino]triphenylamine are: (1)ACD/LogP: 19.997; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 20.00; (4)ACD/LogD (pH 7.4): 20.00; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 12.96 Å²; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 295.155 cm³; (15)Molar Volume: 716.422 cm³; (16)Polarizability: 117.009×10^-24cm³; (17)Surface Tension: 61.041 dyne/cm; (18)Density: 1.252 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1N(c2ccc(cc2)N(c3cc4ccccc4cc3)c5ccccc5)c6ccc(cc6)N(c7cc8ccccc8cc7)c9ccccc9)N(c%10cc%11ccccc%11cc%10)c%12ccccc%12
(2) InChI: InChI=1S/C66H48N4/c1-4-22-55(23-5-1)68(64-31-28-49-16-10-13-19-52(49)46-64)61-40-34-58(35-41-61)67(59-36-42-62(43-37-59)69(56-24-6-2-7-25-56)65-32-29-50-17-11-14-20-53(50)47-65)60-38-44-63(45-39-60)70(57-26-8-3-9-27-57)66-33-30-51-18-12-15-21-54(51)48-66/h1-48H
(3) InChIKey: KDOQMLIRFUVJNT-UHFFFAOYSA-N