| CAS Number | 190974-21-1 |
| Catalog Number | AG00ANI8(AGN-PC-0CRBS6) |
| Chemical Name | 9,10-Bis[phenyl(m-tolyl)-amino]anthracene |
| IUPAC Name | 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine |
| InChI | InChI=1S/C40H32N2/c1-29-21-25-33(26-22-29)41(31-13-5-3-6-14-31)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)42(32-15-7-4-8-16-32)34-27-23-30(2)24-28-34/h3-28H,1-2H3 |
| InChI Key | HTJPPQKJCPTAED-UHFFFAOYSA-N |
| MDL Number | MFCD12022466 |
| Molecular Formula | C40H32N2 |
| Molecular Weight | 540.6955 |
| SMILES | Cc1ccc(cc1)N(c1ccccc1)c1c2ccccc2c(N(c2ccccc2)c2ccc(C)cc2)c2ccccc12 |
| Synonyms | 9,10-Bis[N-(p-tolyl)anilino]anthracene,
190974-21-1,
SCHEMBL13250597,
N,N'-Bis(4-methylphenyl)-N,N'-diphenyl-9,10-anthracenediamine,
B5149,
N,N'-Diphenyl-N,N'-di(p-tolyl)-9,10-anthracenediamine,
|
| Complexity | 720 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 540.257g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 540.71g/mol |
| Monoisotopic Mass | 540.257g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number