About dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene
dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene (PubChem CID 139088227) has the molecular formula C88H134Ag2Li2N8O2
and a molecular weight of 1565.71 g/mol. Its IUPAC name is dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene.
Molecular Properties
| Compound Name | dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene |
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| PubChem CID | 139088227 |
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| Molecular Formula | C88H134Ag2Li2N8O2 |
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| Molecular Weight | 1565.71 g/mol |
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| Exact Mass | 1562.91 |
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| IUPAC Name | dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene |
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| SMILES | C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C1CCOC1.C1CCOC1.Cc1ccc(C)cc1.[Ag+].[Ag+].[Li+].[Li+] |
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| InChI | InChI=1S/4C18H27N2.C8H10.2C4H8O.2Ag.2Li/c4*1-3-7-16(8-4-1)19-18(14-13-15-11-12-15)20-17-9-5-2-6-10-17;1-7-3-5-8(2)6-4-7;2*1-2-4-5-3-1;;;;/h4*15-17H,1-12H2;3-6H,1-2H3;2*1-4H2;;;;/q4*-1;;;;4*+1 |
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| InChIKey | NNMIRUYSYVFBBC-UHFFFAOYSA-N |
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| XLogP | 17.25 |
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| TPSA | 124.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 102 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1565.71 |
| LogP ≤ 5 | 17.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
The IUPAC name of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene (CID 139088227) is dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene.
What is the SMILES notation for dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
The canonical SMILES for dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene is C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C(#CC1CC1)/C(=N\C1CCCCC1)[N-]C1CCCCC1.C1CCOC1.C1CCOC1.Cc1ccc(C)cc1.[Ag+].[Ag+].[Li+].[Li+].
What is the InChIKey of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
The InChIKey is NNMIRUYSYVFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H27N2.C8H10.2C4H8O.2Ag.2Li/c4*1-3-7-16(8-4-1)19-18(14-13-15-11-12-15)20-17-9-5-2-6-10-17;1-7-3-5-8(2)6-4-7;2*1-2-4-5-3-1;;;;/h4*15-17H,1-12H2;3-6H,1-2H3;2*1-4H2;;;;/q4*-1;;;;4*+1.
What are the key properties of dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene?
dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene has a molecular weight of 1565.71 g/mol, XLogP of 17.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disilver;tetrakis(cyclohexyl-[N-cyclohexyl-C-(2-cyclopropylethynyl)carbonimidoyl]azanide);oxolane;1,4-xylene is sourced from PubChem (CID 139088227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).