About N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 19891768) has the molecular formula C50H54N2
and a molecular weight of 683.00 g/mol. Its IUPAC name is N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
Molecular Properties
| Compound Name | N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline |
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| PubChem CID | 19891768 |
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| Molecular Formula | C50H54N2 |
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| Molecular Weight | 683.00 g/mol |
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| Exact Mass | 682.43 |
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| IUPAC Name | N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline |
|---|
| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCC(C(C)(C)C)CC3)cc2)cc1 |
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| InChI | InChI=1S/C50H54N2/c1-36-8-20-43(21-9-36)51(44-22-10-37(2)11-23-44)47-28-16-41(17-29-47)50(34-32-40(33-35-50)49(5,6)7)42-18-30-48(31-19-42)52(45-24-12-38(3)13-25-45)46-26-14-39(4)15-27-46/h8-31,40H,32-35H2,1-7H3 |
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| InChIKey | MFWJTUGEESEHLV-UHFFFAOYSA-N |
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| XLogP | 14.38 |
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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 | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 683.00 |
| LogP ≤ 5 | 14.38 |
| 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-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 19891768) is N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCC(C(C)(C)C)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is MFWJTUGEESEHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N2/c1-36-8-20-43(21-9-36)51(44-22-10-37(2)11-23-44)47-28-16-41(17-29-47)50(34-32-40(33-35-50)49(5,6)7)42-18-30-48(31-19-42)52(45-24-12-38(3)13-25-45)46-26-14-39(4)15-27-46/h8-31,40H,32-35H2,1-7H3.
What are the key properties of N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 683.00 g/mol, XLogP of 14.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 19891768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).