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139092-78-7 | Benzenamine, 4-(9H-carbazol-9-yl)-N,N-bis[4-(9H-carbazol-9-yl)phenyl]-
CAS No: 139092-78-7 Catalog No: AG001A90 MDL No:MFCD03093250
Product Description
Catalog Number:
AG001A90
Chemical Name:
Benzenamine, 4-(9H-carbazol-9-yl)-N,N-bis[4-(9H-carbazol-9-yl)phenyl]-
CAS Number:
139092-78-7
Molecular Formula:
C54H36N4
Molecular Weight:
740.8904
MDL Number:
MFCD03093250
IUPAC Name:
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline
InChI:
InChI=1S/C54H36N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-36H
InChI Key:
AWXGSYPUMWKTBR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n(c1ccc(cc1)N(c1ccc(cc1)n1c3ccccc3c3c1cccc3)c1ccc(cc1)n1c3ccccc3c3c1cccc3)c1c2cccc1
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
740.294g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
740.91g/mol
Monoisotopic Mass:
740.294g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.4
Literature
| Title | Journal |
|---|---|
| White organic light-emitting diodes for emotion solid-state lighting. | Journal of nanoscience and nanotechnology 20120501 |
| Highly luminescent tetradentate bis-cyclometalated platinum complexes: design, synthesis, structure, photophysics, and electroluminescence application. | Inorganic chemistry 20100607 |
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