About cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) (PubChem CID 139189587) has the molecular formula C35H76CeN7Si4
and a molecular weight of 847.50 g/mol. Its IUPAC name is cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide).
Molecular Properties
| Compound Name | cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) |
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| PubChem CID | 139189587 |
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| Molecular Formula | C35H76CeN7Si4 |
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| Molecular Weight | 847.50 g/mol |
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| Exact Mass | 846.43 |
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| IUPAC Name | cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) |
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| SMILES | CC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)[N-]c1ccccc1.[Ce+3] |
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| InChI | InChI=1S/2C13H32N3Si2.C9H12N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-8(2)10-9-6-4-3-5-7-9;/h2*11-12H,1-10H3;3-8H,1-2H3;/q3*-1;+3 |
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| InChIKey | KIDINHVQFYTHRR-UHFFFAOYSA-N |
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| XLogP | 12.11 |
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| TPSA | 73.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 847.50 |
| LogP ≤ 5 | 12.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The IUPAC name of cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) (CID 139189587) is cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide).
What is the SMILES notation for cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The canonical SMILES for cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) is CC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)[N-]c1ccccc1.[Ce+3].
What is the InChIKey of cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The InChIKey is KIDINHVQFYTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H32N3Si2.C9H12N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-8(2)10-9-6-4-3-5-7-9;/h2*11-12H,1-10H3;3-8H,1-2H3;/q3*-1;+3.
What are the key properties of cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) has a molecular weight of 847.50 g/mol, XLogP of 12.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) is sourced from PubChem (CID 139189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).