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20441-06-9 | [1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(4-methylphenyl)-N4,N4'-diphenyl-
CAS No: 20441-06-9 Catalog No: AG0029H3 MDL No:MFCD00799301
Product Description
Catalog Number:
AG0029H3
Chemical Name:
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(4-methylphenyl)-N4,N4'-diphenyl-
CAS Number:
20441-06-9
Molecular Formula:
C38H32N2
Molecular Weight:
516.6741
MDL Number:
MFCD00799301
IUPAC Name:
4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
InChI:
InChI=1S/C38H32N2/c1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h3-28H,1-2H3
InChI Key:
UNZWWPCQEYRCMU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.257g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.688g/mol
Monoisotopic Mass:
516.257g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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