TL;DR: N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine (CAS 105465-13-2) is a chemical compound with molecular formula C42H40N2 and molecular weight 572.31915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
Also Known As: 3,3'-Dimethyl-4,4'-bis[N,N'-di(4-methylphenyl)amino]biphenyl, N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine, 3,3 -Dimethyl-N,N,N ,N -tetra-p-tolyl-4,4 -biphenyldiamine, 2-methyl-4-[3-methyl-4-[4-methyl-N-(p-tolyl)anilino]phenyl]-N,N-bis(p-tolyl)aniline, 3,3 -Dimethyl-N,N,N ,N -tetrakis(4-methylphenyl)biphenyl-4,4 -diamine
| Molecular Formula | C42H40N2 |
| Molecular Weight | 572.31915 g/mol |
| XLogP | 12.2 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.31915 Da |
| Heavy Atoms | 44 |
| Complexity | 724.0 |
| SMILES | CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C(C=C(C=C3)C4=CC(=C(C=C4)N(C5=CC=C(C=C5)C)C6=CC=C(C=C6)C)C)C |
| InChIKey | DRGMQKFBFLKDOX-UHFFFAOYSA-N |
The XLogP value of 12.2 indicates that N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine is 105465-13-2.
The molecular formula of N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine is C42H40N2.
The molecular weight of N,N,N',N'-tetrakis-(4-methylphenyl)-3,3'-dimethylbenzidine is 572.31915 g/mol.
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