4-Bromo-N-(4-bromophenyl)-N-(4-(tert-butyl)phenyl)aniline - CAS 852534-22-6
Catalog: |
BB061877 |
Product Name: |
4-Bromo-N-(4-bromophenyl)-N-(4-(tert-butyl)phenyl)aniline |
CAS: |
852534-22-6 |
Synonyms: |
4,4'-Dibromo-4''-tert-butyltriphenylamine; N,N-bis(4-bromophenyl)-4-tert-butylaniline |
IUPAC Name: | N,N-bis(4-bromophenyl)-4-tert-butylaniline |
Molecular Weight: | 459.22 |
Molecular Formula: | C22H21Br2N |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br |
InChI: | InChI=1S/C22H21Br2N/c1-22(2,3)16-4-10-19(11-5-16)25(20-12-6-17(23)7-13-20)21-14-8-18(24)9-15-21/h4-15H,1-3H3 |
InChI Key: | KKLLWAUOZGXWDN-UHFFFAOYSA-N |
References: | Chen, P., et al. Angew. Chem. Int. Ed., 51, 7994 (2012); Chen, P., et al. Chem. Eur. J., 21, 18237 (2015). |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 459.00203 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 457.00407 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 3.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.2 |
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