| CAS Number | 1073183-32-0 |
| Catalog Number | AG003KEH(AGN-PC-0WAFWB) |
| Chemical Name | N1-{[1,1'-biphenyl]-4-yl}-N4-(naphthalen-1-yl)-N1-{4-[(naphthalen-1-yl)(phenyl)amino]phenyl}-N4-phenylbenzene-1,4-diamine |
| IUPAC Name | 4-N-naphthalen-1-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine |
| InChI | InChI=1S/C56H41N3/c1-4-16-42(17-5-1)43-30-32-48(33-31-43)57(49-34-38-51(39-35-49)58(46-22-6-2-7-23-46)55-28-14-20-44-18-10-12-26-53(44)55)50-36-40-52(41-37-50)59(47-24-8-3-9-25-47)56-29-15-21-45-19-11-13-27-54(45)56/h1-41H |
| InChI Key | PCKGGBIOVDMNCP-UHFFFAOYSA-N |
| MDL Number | MFCD06797058 |
| Molecular Formula | C56H41N3 |
| Molecular Weight | 755.9448 |
| SMILES | c1ccc(cc1)N(c1ccc(cc1)N(c1ccc(cc1)N(c1ccccc1)c1cccc2ccccc12)c1ccc(cc1)-c1ccccc1)c1cccc2ccccc12 |
| Synonyms | 1073183-32-0,
4,4'-Bis[N-(1-naphthyl)-N-phenylamino]-4''-phenyltriphenylamine,
SCHEMBL3419760,
DTXSID90659869,
KS-000016VL,
MFCD06797058,
ZINC150343104,
TR-033975,
4,4-Bis[N-(1-naphthyl)-N-phenylamino]-4-phenyltriphenylamine,
N-(4-Biphenylyl)-N,N-bis[4-[N-(1-naphthyl)-N-phenylamino]phenyl]amine,
N~1~-([1,1'-Biphenyl]-4-yl)-N~4~-(naphthalen-1-yl)-N~1~-{4-[(naphthalen-1-yl)(phenyl)amino]phenyl}-N~4~-phenylbenzene-1,4-diamine,
B2305,
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| Complexity | 1150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 755.33g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 59 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 755.965g/mol |
| Monoisotopic Mass | 755.33g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 9.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 15.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number