About N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine (PubChem CID 11954879) has the molecular formula C43H47N3
and a molecular weight of 605.87 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine.
Molecular Properties
| Compound Name | N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine |
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| PubChem CID | 11954879 |
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| Molecular Formula | C43H47N3 |
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| Molecular Weight | 605.87 g/mol |
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| Exact Mass | 605.38 |
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| IUPAC Name | N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine |
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| SMILES | CC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1 |
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| InChI | InChI=1S/C43H47N3/c1-28(2)34-22-15-23-35(29(3)4)42(34)45-40(32-18-11-9-12-19-32)38-26-17-27-39(44-38)41(33-20-13-10-14-21-33)46-43-36(30(5)6)24-16-25-37(43)31(7)8/h9-31H,1-8H3/b45-40+,46-41+ |
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| InChIKey | BXNLDIRFDYZYHB-WBOPHBOFSA-N |
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| XLogP | 11.91 |
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| TPSA | 37.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 605.87 |
| LogP ≤ 5 | 11.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine (CID 11954879) is N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1cccc(/C(=N/c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
The InChIKey is BXNLDIRFDYZYHB-WBOPHBOFSA-N. The full InChI is InChI=1S/C43H47N3/c1-28(2)34-22-15-23-35(29(3)4)42(34)45-40(32-18-11-9-12-19-32)38-26-17-27-39(44-38)41(33-20-13-10-14-21-33)46-43-36(30(5)6)24-16-25-37(43)31(7)8/h9-31H,1-8H3/b45-40+,46-41+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine has a molecular weight of 605.87 g/mol, XLogP of 11.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine is sourced from PubChem (CID 11954879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).