About bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+))
bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) (PubChem CID 139152975) has the molecular formula C38H44N12Ni3O9S4
and a molecular weight of 1117.19 g/mol. Its IUPAC name is bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)).
Molecular Properties
| Compound Name | bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) |
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| PubChem CID | 139152975 |
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| Molecular Formula | C38H44N12Ni3O9S4 |
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| Molecular Weight | 1117.19 g/mol |
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| Exact Mass | 1114.03 |
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| IUPAC Name | bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) |
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| SMILES | CCOCC.CS(=O)(=O)[N-]c1cccc([N-]S(C)(=O)=O)n1.CS(=O)(=O)[N-]c1cccc([N-]S(C)(=O)=O)n1.[Ni+2].[Ni+2].[Ni+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1 |
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| InChI | InChI=1S/2C10H8N3.2C7H9N3O4S2.C4H10O.3Ni/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*1-15(11,12)9-6-4-3-5-7(8-6)10-16(2,13)14;1-3-5-4-2;;;/h2*1-8H;2*3-5H,1-2H3;3-4H2,1-2H3;;;/q2*-1;2*-2;;3*+2 |
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| InChIKey | OTUFLVNGRUIOMD-UHFFFAOYSA-N |
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| XLogP | 8.68 |
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| TPSA | 307.73 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1117.19 |
| LogP ≤ 5 | 8.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
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Frequently Asked Questions
What is the IUPAC name of bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+))?
The IUPAC name of bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) (CID 139152975) is bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)).
What is the SMILES notation for bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+))?
The canonical SMILES for bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) is CCOCC.CS(=O)(=O)[N-]c1cccc([N-]S(C)(=O)=O)n1.CS(=O)(=O)[N-]c1cccc([N-]S(C)(=O)=O)n1.[Ni+2].[Ni+2].[Ni+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+))?
The InChIKey is OTUFLVNGRUIOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N3.2C7H9N3O4S2.C4H10O.3Ni/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*1-15(11,12)9-6-4-3-5-7(8-6)10-16(2,13)14;1-3-5-4-2;;;/h2*1-8H;2*3-5H,1-2H3;3-4H2,1-2H3;;;/q2*-1;2*-2;;3*+2.
What are the key properties of bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+))?
bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) has a molecular weight of 1117.19 g/mol, XLogP of 8.68, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+)) is sourced from PubChem (CID 139152975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).