About copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine
copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine (PubChem CID 139133313) has the molecular formula C34H46CuN3
and a molecular weight of 560.31 g/mol. Its IUPAC name is copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine.
Molecular Properties
| Compound Name | copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine |
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| PubChem CID | 139133313 |
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| Molecular Formula | C34H46CuN3 |
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| Molecular Weight | 560.31 g/mol |
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| Exact Mass | 559.30 |
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| IUPAC Name | copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine |
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| SMILES | C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.[Cu+].c1ccncc1 |
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| InChI | InChI=1S/C29H41N2.C5H5N.Cu/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-2-4-6-5-3-1;/h11-21H,1-10H3;1-5H;/q-1;;+1/b22-17-,31-23+;; |
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| InChIKey | MXGJBGALZUVNGG-GGFZQTNZSA-N |
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| XLogP | 10.96 |
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| TPSA | 39.35 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 | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 560.31 |
| LogP ≤ 5 | 10.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine?
The IUPAC name of copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine (CID 139133313) is copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine.
What is the SMILES notation for copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine?
The canonical SMILES for copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.[Cu+].c1ccncc1.
What is the InChIKey of copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine?
The InChIKey is MXGJBGALZUVNGG-GGFZQTNZSA-N. The full InChI is InChI=1S/C29H41N2.C5H5N.Cu/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-2-4-6-5-3-1;/h11-21H,1-10H3;1-5H;/q-1;;+1/b22-17-,31-23+;;.
What are the key properties of copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine?
copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine has a molecular weight of 560.31 g/mol, XLogP of 10.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;pyridine is sourced from PubChem (CID 139133313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).