About 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline
4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline (PubChem CID 175703232) has the molecular formula C56H58N2
and a molecular weight of 759.09 g/mol. Its IUPAC name is 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline.
Molecular Properties
| Compound Name | 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline |
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| PubChem CID | 175703232 |
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| Molecular Formula | C56H58N2 |
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| Molecular Weight | 759.09 g/mol |
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| Exact Mass | 758.46 |
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| IUPAC Name | 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline |
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| SMILES | CCc1ccc(N(c2ccc(CC)cc2)c2ccc(C3(c4ccc(N(c5ccc(CC)cc5)c5ccc(CC)cc5)cc4)CCC(c4ccccc4)CC3)cc2)cc1 |
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| InChI | InChI=1S/C56H58N2/c1-5-42-14-26-50(27-15-42)57(51-28-16-43(6-2)17-29-51)54-34-22-48(23-35-54)56(40-38-47(39-41-56)46-12-10-9-11-13-46)49-24-36-55(37-25-49)58(52-30-18-44(7-3)19-31-52)53-32-20-45(8-4)21-33-53/h9-37,47H,5-8,38-41H2,1-4H3 |
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| InChIKey | FLDVXGPIOPMSGV-UHFFFAOYSA-N |
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| XLogP | 15.52 |
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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 | 13 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 759.09 |
| LogP ≤ 5 | 15.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline?
The IUPAC name of 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline (CID 175703232) is 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline.
What is the SMILES notation for 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline?
The canonical SMILES for 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline is CCc1ccc(N(c2ccc(CC)cc2)c2ccc(C3(c4ccc(N(c5ccc(CC)cc5)c5ccc(CC)cc5)cc4)CCC(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline?
The InChIKey is FLDVXGPIOPMSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58N2/c1-5-42-14-26-50(27-15-42)57(51-28-16-43(6-2)17-29-51)54-34-22-48(23-35-54)56(40-38-47(39-41-56)46-12-10-9-11-13-46)49-24-36-55(37-25-49)58(52-30-18-44(7-3)19-31-52)53-32-20-45(8-4)21-33-53/h9-37,47H,5-8,38-41H2,1-4H3.
What are the key properties of 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline?
4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline has a molecular weight of 759.09 g/mol, XLogP of 15.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline is sourced from PubChem (CID 175703232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).