About N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 23567899) has the molecular formula C39H39N3
and a molecular weight of 549.76 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
Molecular Properties
| Compound Name | N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine |
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| PubChem CID | 23567899 |
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| Molecular Formula | C39H39N3 |
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| Molecular Weight | 549.76 g/mol |
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| Exact Mass | 549.31 |
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| IUPAC Name | N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine |
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| SMILES | C/C(=N\c1c(-c2ccccc2)cccc1-c1ccccc1)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1 |
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| InChI | InChI=1S/C39H39N3/c1-26(2)32-20-13-21-33(27(3)4)38(32)40-28(5)36-24-15-25-37(42-36)29(6)41-39-34(30-16-9-7-10-17-30)22-14-23-35(39)31-18-11-8-12-19-31/h7-27H,1-6H3/b40-28+,41-29+ |
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| InChIKey | FZOWDCPBABBGGL-ICKILNQYSA-N |
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| XLogP | 10.94 |
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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 | 8 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 549.76 |
| LogP ≤ 5 | 10.94 |
| 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-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 23567899) is N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1c(-c2ccccc2)cccc1-c1ccccc1)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is FZOWDCPBABBGGL-ICKILNQYSA-N. The full InChI is InChI=1S/C39H39N3/c1-26(2)32-20-13-21-33(27(3)4)38(32)40-28(5)36-24-15-25-37(42-36)29(6)41-39-34(30-16-9-7-10-17-30)22-14-23-35(39)31-18-11-8-12-19-31/h7-27H,1-6H3/b40-28+,41-29+.
What are the key properties of N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 549.76 g/mol, XLogP of 10.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 23567899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).