AG0074DP

124729-98-2 | 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine

AG0074DP

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CAS Number	124729-98-2
Catalog Number	AG0074DP(AGN-PC-0PHWEQ)
Chemical Name	4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine
IUPAC Name	4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
InChI	InChI=1S/C57H48N4/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57/h4-42H,1-3H3
InChI Key	DIVZFUBWFAOMCW-UHFFFAOYSA-N
MDL Number	MFCD00799401
Molecular Formula	C57H48N4
Molecular Weight	789.0178
SMILES	CC1=CC(N(C2=CC=CC=C2)C3=CC=C(N(C4=CC=C(N(C5=CC=CC=C5)C6=CC=CC(C)=C6)C=C4)C7=CC=C(N(C8=CC=CC=C8)C9=CC=CC(C)=C9)C=C7)C=C3)=CC=C1
Synonyms	124729-98-2, m-MTDATA, N1-Phenyl-N4,N4-bis(4-(phenyl(m-tolyl)amino)phenyl)-N1-(m-tolyl)benzene-1,4-diamine, 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine, 4,4',4''-Tris[phenyl(m-tolyl)amino]triphenylamine, N1-Phenyl-N4,N4-bis(4-(phenyl(m-tolyl)amino)-phenyl)-N1-(m-tolyl)benzene-1,4-diamine, SCHEMBL26563, Jsp001623, CTK8B7919, DTXSID40453692, C57H48N4, ANW-58939, MFCD00799401, AKOS005145697, ZINC150347772, AK-56211, AS-39322, TC-147684, 4CH-023793, FT-0658324, ST24048740, X4222, KS-00001739, 729T982, 4,4,4-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine, 4,4',4" -Tris(N-3-methylphenyl-N-phenyl-amino)triphenylamine, 4,4',4"-tris(n-3-methylphenyl-n-phenyl-amino)-triphenylamine, 4,4',4''-Tris[phenyl(m-tolyl)amino]triphenylamine, 98.0%, (4,4',4''-tris[N-(3-methylphenyl)-N-phenylamino]-triphenylamine), 4,4',4''-Tris(N-3-methylphenyl-N-phenyl-amino)-triphenylamine, 4,4,4-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine[m-MTDATA], 4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine, N~1~-(3-Methylphenyl)-N~4~,N~4~-bis{4-[(3-methylphenyl)(phenyl)amino]phenyl}-N~1~-phenylbenzene-1,4-diamine, CID11061735, T2251, 4,4',4'-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine, 4,4',4"-Tris(N-3-methylphenyl-N-phenyl- amino)-triphenylamine, 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine, 98% - 1G 1g, N'-(3-methylphenyl)-N,N-bis[4-[(3-methylphenyl)-phenyl-amino]phenyl]-N'-phenyl-benzene-1,4-diamine,

Complexity	1090
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	788.388g/mol
Formal Charge	0
Heavy Atom Count	61
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	789.039g/mol
Monoisotopic Mass	788.388g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	13A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	16

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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