About cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) (PubChem CID 139189585) has the molecular formula C38H74CeN7Si4
and a molecular weight of 881.52 g/mol. Its IUPAC name is cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide).
Molecular Properties
| Compound Name | cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) |
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| PubChem CID | 139189585 |
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| Molecular Formula | C38H74CeN7Si4 |
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| Molecular Weight | 881.52 g/mol |
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| Exact Mass | 880.41 |
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| IUPAC Name | cerium(3+);diphenylazanide;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.[Ce+3].c1ccc([N-]c2ccccc2)cc1 |
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| InChI | InChI=1S/2C13H32N3Si2.C12H10N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*11-12H,1-10H3;1-10H;/q3*-1;+3 |
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| InChIKey | CIAXMNSPCMHMSR-UHFFFAOYSA-N |
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| XLogP | 13.03 |
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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 | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 881.52 |
| LogP ≤ 5 | 13.03 |
| 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+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The IUPAC name of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) (CID 139189585) is cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide).
What is the SMILES notation for cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The canonical SMILES for cerium(3+);diphenylazanide;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.[Ce+3].c1ccc([N-]c2ccccc2)cc1.
What is the InChIKey of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The InChIKey is CIAXMNSPCMHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H32N3Si2.C12H10N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*11-12H,1-10H3;1-10H;/q3*-1;+3.
What are the key properties of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) has a molecular weight of 881.52 g/mol, XLogP of 13.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) is sourced from PubChem (CID 139189585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).