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122738-21-0 | [1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CAS No: 122738-21-0 Catalog No: AG000J8M MDL No:MFCD09833415
Product Description
Catalog Number:
AG000J8M
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CAS Number:
122738-21-0
Molecular Formula:
C40H36N2O4
Molecular Weight:
608.7248
MDL Number:
MFCD09833415
IUPAC Name:
4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N,N-bis(4-methoxyphenyl)aniline
InChI:
InChI=1S/C40H36N2O4/c1-43-37-21-13-33(14-22-37)41(34-15-23-38(44-2)24-16-34)31-9-5-29(6-10-31)30-7-11-32(12-8-30)42(35-17-25-39(45-3)26-18-35)36-19-27-40(46-4)28-20-36/h5-28H,1-4H3
InChI Key:
WPUSEOSICYGUEW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.268g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
608.738g/mol
Monoisotopic Mass:
608.268g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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