dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate

C44H37Cl4N9O6PtRu — CID 139250776

About dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate

dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate (PubChem CID 139250776) has the molecular formula C44H37Cl4N9O6PtRu and a molecular weight of 1225.80 g/mol. Its IUPAC name is dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate.

Molecular Properties

• Compound Name: dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate
• PubChem CID: 139250776
• Molecular Formula: C44H37Cl4N9O6PtRu
• Molecular Weight: 1225.80 g/mol
• Exact Mass: 1224.03
• IUPAC Name: dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate
• SMILES: Cl[Pt]Cl.O.O.O.O=C(O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C24H15N5O3.2C10H8N2.4ClH.3H2O.Pt.Ru/c30-23(15-5-9-25-19(12-15)20-13-16(24(31)32)6-10-26-20)29-18-11-14-3-1-7-27-21(14)22-17(18)4-2-8-28-22;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h1-13H,(H,29,30)(H,31,32);2*1-8H;4*1H;3*1H2;;/q;;;;;;;;;;2*+2/p-4
• InChIKey: KLSQAXUTQRMNNA-UHFFFAOYSA-J
• XLogP: 1.39
• TPSA: 264.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1225.80
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate?

The IUPAC name of dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate (CID 139250776) is dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate.

What is the SMILES notation for dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate?

The canonical SMILES for dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate is Cl[Pt]Cl.O.O.O.O=C(O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate?

The InChIKey is KLSQAXUTQRMNNA-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H15N5O3.2C10H8N2.4ClH.3H2O.Pt.Ru/c30-23(15-5-9-25-19(12-15)20-13-16(24(31)32)6-10-26-20)29-18-11-14-3-1-7-27-21(14)22-17(18)4-2-8-28-22;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h1-13H,(H,29,30)(H,31,32);2*1-8H;4*1H;3*1H2;;/q;;;;;;;;;;2*+2/p-4.

What are the key properties of dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate?

dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate has a molecular weight of 1225.80 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dichloroplatinum;2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;trihydrate is sourced from PubChem (CID 139250776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).