| CAS Number | 147951-36-8 |
| Catalog Number | AG001FBB(AGN-PC-0Q138G) |
| Chemical Name | [1,1':3',1''-Terphenyl]-4,4''-diamine, 5'-[4-(diphenylamino)phenyl]-N4,N4,N4'',N4''-tetraphenyl- |
| IUPAC Name | 4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline |
| InChI | InChI=1S/C60H45N3/c1-7-19-52(20-8-1)61(53-21-9-2-10-22-53)58-37-31-46(32-38-58)49-43-50(47-33-39-59(40-34-47)62(54-23-11-3-12-24-54)55-25-13-4-14-26-55)45-51(44-49)48-35-41-60(42-36-48)63(56-27-15-5-16-28-56)57-29-17-6-18-30-57/h1-45H |
| InChI Key | XVMUGTFNHXHZIP-UHFFFAOYSA-N |
| MDL Number | MFCD30721946 |
| Molecular Formula | C60H45N3 |
| Molecular Weight | 808.0194 |
| SMILES | C1(C2=CC=C(N(C3=CC=CC=C3)C4=CC=CC=C4)C=C2)=CC(C5=CC=C(N(C6=CC=CC=C6)C7=CC=CC=C7)C=C5)=CC(C8=CC=C(N(C9=CC=CC=C9)C%10=CC=CC=C%10)C=C8)=C1 |
| Synonyms | 1,3,5-tris[4-(diphenylamino)phenyl]benzene,
147951-36-8,
SCHEMBL1322242,
MFCD30721946,
ACN-048583,
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline,
5'-(4-(diphenylamino)phenyl)-N4,N4,N4'',N4''-tetraphenyl-[1,1':3',1''-terphenyl]-4,4''-diamine,
T3436,
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| Complexity | 1050 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 807.361g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 63 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 808.041g/mol |
| Monoisotopic Mass | 807.361g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 9.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 16.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number