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848153-57-1 | Benzenamine, 4,4'-(1E)-1,2-ethenediylbis[N,N-bis(4-methoxyphenyl)-
CAS No: 848153-57-1 Catalog No: AG004X3H MDL No:
Product Description
Catalog Number:
AG004X3H
Chemical Name:
Benzenamine, 4,4'-(1E)-1,2-ethenediylbis[N,N-bis(4-methoxyphenyl)-
CAS Number:
848153-57-1
Molecular Formula:
C42H38N2O4
Molecular Weight:
634.7621
IUPAC Name:
4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
InChI:
InChI=1S/C42H38N2O4/c1-45-39-23-15-35(16-24-39)43(36-17-25-40(46-2)26-18-36)33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)44(37-19-27-41(47-3)28-20-37)38-21-29-42(48-4)30-22-38/h5-30H,1-4H3
InChI Key:
HAVGSGBHMVNTEO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)/C=C/c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.283g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
634.776g/mol
Monoisotopic Mass:
634.283g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
10.6
Literature
| Title | Journal |
|---|---|
| Intramolecular electron-transfer rates in mixed-valence triarylamines: measurement by variable-temperature ESR spectroscopy and comparison with optical data. | Journal of the American Chemical Society 20090211 |
| Isolation and crystal structures of two singlet bis(triarylamine) dications with nonquinoidal geometries. | Journal of the American Chemical Society 20060215 |
| A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues. | Chemical communications (Cambridge, England) 20050214 |
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