Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium
C118H80N22O16Ru4-4 — CID 146681170
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACtetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium
SMILESO=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.[Ru].[Ru].[Ru].[Ru].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C17H11N3O4.5C10H8N2.4Ru/c4*21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24;5*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;/h4*1-9H,(H,21,22)(H,23,24);5*1-8H;;;;/p-4
InChIKeyGEPRRTZVZPZEDQ-UHFFFAOYSA-J
MW2466.36 g/mol
LogP15.78
Rot. Bonds21
About Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium
Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium (PubChem CID 146681170) has the molecular formula C118H80N22O16Ru4-4 and a molecular weight of 2466.36 g/mol. Its IUPAC name is tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium.
Molecular Properties
| Compound Name | Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium |
|---|---|
| PubChem CID | 146681170 |
| Molecular Formula | C118H80N22O16Ru4-4 |
| Molecular Weight | 2466.36 g/mol |
| Exact Mass | 2468.23 |
| IUPAC Name | tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium |
| SMILES | O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.[Ru].[Ru].[Ru].[Ru].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1 |
| InChI | InChI=1S/4C17H11N3O4.5C10H8N2.4Ru/c4*21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24;5*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;/h4*1-9H,(H,21,22)(H,23,24);5*1-8H;;;;/p-4 |
| InChIKey | GEPRRTZVZPZEDQ-UHFFFAOYSA-J |
| XLogP | 15.78 |
| TPSA | 593.30 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 160 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2466.36 |
| LogP ≤ 5 | 15.78 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 34 |
Frequently Asked Questions
What is the IUPAC name of Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium?
The IUPAC name of Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium (CID 146681170) is tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium.
What is the SMILES notation for Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium?
The canonical SMILES for Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium is O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.O=C([O-])c1cccc(-c2cccc(-c3cccc(C(=O)O)n3)n2)n1.[Ru].[Ru].[Ru].[Ru].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium?
The InChIKey is GEPRRTZVZPZEDQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C17H11N3O4.5C10H8N2.4Ru/c4*21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24;5*1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;/h4*1-9H,(H,21,22)(H,23,24);5*1-8H;;;;/p-4.
What are the key properties of Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium?
Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium has a molecular weight of 2466.36 g/mol, XLogP of 15.78, 21 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for Tetrakis(6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate);pentakis(4-pyridin-4-ylpyridine);ruthenium is sourced from PubChem (CID 146681170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 146681170 — identifiers, structure, computed properties (public domain)
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