About tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine)
tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) (PubChem CID 139178835) has the molecular formula C80H74Mn2N10O8
and a molecular weight of 1413.41 g/mol. Its IUPAC name is tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine).
Molecular Properties
| Compound Name | tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) |
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| PubChem CID | 139178835 |
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| Molecular Formula | C80H74Mn2N10O8 |
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| Molecular Weight | 1413.41 g/mol |
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| Exact Mass | 1412.45 |
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| IUPAC Name | tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) |
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| SMILES | Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.[Mn+2].[Mn+2].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1 |
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| InChI | InChI=1S/4C15H15NO2.2C10H9N3.2Mn/c4*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h4*3-9,16H,1-2H3,(H,17,18);2*1-8H,(H,11,12,13);;/q;;;;;;2*+2/p-4 |
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| InChIKey | OKPRBBKGJCEOMI-UHFFFAOYSA-J |
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| XLogP | 14.08 |
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| TPSA | 284.26 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 100 |
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| Complexity | — |
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Lipinski Rule of Five
4 violations
| Rule | Value |
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| MW ≤ 500 | 1413.41 |
| LogP ≤ 5 | 14.08 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine)?
The IUPAC name of tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) (CID 139178835) is tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine).
What is the SMILES notation for tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine)?
The canonical SMILES for tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) is Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.[Mn+2].[Mn+2].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.
What is the InChIKey of tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine)?
The InChIKey is OKPRBBKGJCEOMI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C15H15NO2.2C10H9N3.2Mn/c4*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h4*3-9,16H,1-2H3,(H,17,18);2*1-8H,(H,11,12,13);;/q;;;;;;2*+2/p-4.
What are the key properties of tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine)?
tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) has a molecular weight of 1413.41 g/mol, XLogP of 14.08, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(2,3-dimethylanilino)benzoate);bis(manganese(2+));bis(N-pyridin-2-ylpyridin-2-amine) is sourced from PubChem (CID 139178835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).