Home Aminos 1,4-Benzenediamine, N1-[1,1'-biphenyl]-4-yl-N1-[4-[bis(3,5-dimethylphenyl)amino]phenyl]-N4,N4-bis(3,5-dimethylphenyl)-

1,4-Benzenediamine, N1-[1,1'-biphenyl]-4-yl-N1-[4-[bis(3,5-dimethylphenyl)amino]phenyl]-N4,N4-bis(3,5-dimethylphenyl)-

CAS No.:
249609-49-2
Catalog Number:
AG002PZY
Molecular Formula:
C56H53N3
Molecular Weight:
768.0401
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>98.0%(HPLC)
1 week
United States
$532
- +
1g
>98.0%(HPLC)
1 week
United States
$2957
- +
Product Description
Catalog Number:
AG002PZY
Chemical Name:
1,4-Benzenediamine, N1-[1,1'-biphenyl]-4-yl-N1-[4-[bis(3,5-dimethylphenyl)amino]phenyl]-N4,N4-bis(3,5-dimethylphenyl)-
CAS Number:
249609-49-2
Molecular Formula:
C56H53N3
Molecular Weight:
768.0401
MDL Number:
MFCD03844780
IUPAC Name:
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
InChI:
InChI=1S/C56H53N3/c1-38-26-39(2)31-53(30-38)58(54-32-40(3)27-41(4)33-54)51-22-18-49(19-23-51)57(48-16-14-47(15-17-48)46-12-10-9-11-13-46)50-20-24-52(25-21-50)59(55-34-42(5)28-43(6)35-55)56-36-44(7)29-45(8)37-56/h9-37H,1-8H3
InChI Key:
XPHQVAAGYDLYOC-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)N(c1cc(C)cc(c1)C)c1ccc(cc1)N(c1ccc(cc1)N(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)c1ccc(cc1)c1ccccc1
Properties
Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
767.424g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
768.061g/mol
Monoisotopic Mass:
767.424g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.2  
Properties