About 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline
4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline (PubChem CID 134223973) has the molecular formula C88H86N4O4S2
and a molecular weight of 1327.81 g/mol. Its IUPAC name is 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline.
Molecular Properties
| Compound Name | 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline |
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| PubChem CID | 134223973 |
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| Molecular Formula | C88H86N4O4S2 |
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| Molecular Weight | 1327.81 g/mol |
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| Exact Mass | 1326.61 |
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| IUPAC Name | 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline |
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| SMILES | CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)Cc5ccc(N(c6ccccc6)c6ccc(S(=O)(=O)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1 |
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| InChI | InChI=1S/C88H86N4O4S2/c1-85(2,3)65-29-39-73(40-30-65)91(74-41-31-66(32-42-74)86(4,5)6)79-51-59-83(60-52-79)98(95,96)84-61-53-80(54-62-84)92(75-43-33-67(34-44-75)87(7,8)9)76-45-35-68(36-46-76)88(10,11)63-64-27-37-72(38-28-64)90(71-25-19-14-20-26-71)78-49-57-82(58-50-78)97(93,94)81-55-47-77(48-56-81)89(69-21-15-12-16-22-69)70-23-17-13-18-24-70/h12-62H,63H2,1-11H3 |
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| InChIKey | RYRGIUXNQBAJES-UHFFFAOYSA-N |
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| XLogP | 23.64 |
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| TPSA | 81.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 98 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1327.81 |
| LogP ≤ 5 | 23.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline?
The IUPAC name of 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline (CID 134223973) is 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline.
What is the SMILES notation for 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline?
The canonical SMILES for 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(S(=O)(=O)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)Cc5ccc(N(c6ccccc6)c6ccc(S(=O)(=O)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline?
The InChIKey is RYRGIUXNQBAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H86N4O4S2/c1-85(2,3)65-29-39-73(40-30-65)91(74-41-31-66(32-42-74)86(4,5)6)79-51-59-83(60-52-79)98(95,96)84-61-53-80(54-62-84)92(75-43-33-67(34-44-75)87(7,8)9)76-45-35-68(36-46-76)88(10,11)63-64-27-37-72(38-28-64)90(71-25-19-14-20-26-71)78-49-57-82(58-50-78)97(93,94)81-55-47-77(48-56-81)89(69-21-15-12-16-22-69)70-23-17-13-18-24-70/h12-62H,63H2,1-11H3.
What are the key properties of 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline?
4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline has a molecular weight of 1327.81 g/mol, XLogP of 23.64, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]anilino)phenyl]-2-methylpropyl]-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfonylphenyl]aniline is sourced from PubChem (CID 134223973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).