About (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine
(Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine (PubChem CID 134876892) has the molecular formula C30H29N2P
and a molecular weight of 448.55 g/mol. Its IUPAC name is (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine.
Molecular Properties
| Compound Name | (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine |
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| PubChem CID | 134876892 |
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| Molecular Formula | C30H29N2P |
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| Molecular Weight | 448.55 g/mol |
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| Exact Mass | 448.21 |
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| IUPAC Name | (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine |
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| SMILES | CC/C(=N\N=C(\C)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C30H29N2P/c1-3-30(26-16-8-4-9-17-26)32-31-25(2)24-33(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-24H,3H2,1-2H3/b31-25-,32-30+ |
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| InChIKey | SMSHZMPTMZIHOC-UFPZHUDHSA-N |
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| XLogP | 6.06 |
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| TPSA | 24.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 448.55 |
| LogP ≤ 5 | 6.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine?
The IUPAC name of (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine (CID 134876892) is (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine.
What is the SMILES notation for (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine?
The canonical SMILES for (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine is CC/C(=N\N=C(\C)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine?
The InChIKey is SMSHZMPTMZIHOC-UFPZHUDHSA-N. The full InChI is InChI=1S/C30H29N2P/c1-3-30(26-16-8-4-9-17-26)32-31-25(2)24-33(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-24H,3H2,1-2H3/b31-25-,32-30+.
What are the key properties of (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine?
(Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine has a molecular weight of 448.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-N-[(Z)-1-(triphenyl-λ5-phosphanylidene)propan-2-ylideneamino]propan-1-imine is sourced from PubChem (CID 134876892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).