About N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 18730192) has the molecular formula C48H50N2
and a molecular weight of 654.94 g/mol. Its IUPAC name is N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
Molecular Properties
| Compound Name | N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline |
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| PubChem CID | 18730192 |
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| Molecular Formula | C48H50N2 |
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| Molecular Weight | 654.94 g/mol |
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| Exact Mass | 654.40 |
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| IUPAC Name | N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline |
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| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3CCCC(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)C3(C)C)cc2)cc1 |
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| InChI | InChI=1S/C48H50N2/c1-34-10-22-40(23-11-34)49(41-24-12-35(2)13-25-41)44-30-18-38(19-31-44)46-8-7-9-47(48(46,5)6)39-20-32-45(33-21-39)50(42-26-14-36(3)15-27-42)43-28-16-37(4)17-29-43/h10-33,46-47H,7-9H2,1-6H3 |
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| InChIKey | QZKXWIKICBACBB-UHFFFAOYSA-N |
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| XLogP | 13.94 |
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| TPSA | 6.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 654.94 |
| LogP ≤ 5 | 13.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 18730192) is N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3CCCC(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)C3(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is QZKXWIKICBACBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50N2/c1-34-10-22-40(23-11-34)49(41-24-12-35(2)13-25-41)44-30-18-38(19-31-44)46-8-7-9-47(48(46,5)6)39-20-32-45(33-21-39)50(42-26-14-36(3)15-27-42)43-28-16-37(4)17-29-43/h10-33,46-47H,7-9H2,1-6H3.
What are the key properties of N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 654.94 g/mol, XLogP of 13.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 18730192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).