sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)

C72H43N6NaO18RuS6-4 — CID 173117845

About sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)

sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+) (PubChem CID 173117845) has the molecular formula C72H43N6NaO18RuS6-4 and a molecular weight of 1596.62 g/mol. Its IUPAC name is sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+).

Molecular Properties

• Compound Name: sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)
• PubChem CID: 173117845
• Molecular Formula: C72H43N6NaO18RuS6-4
• Molecular Weight: 1596.62 g/mol
• Exact Mass: 1595.99
• IUPAC Name: sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)
• SMILES: O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].[H-].[Na+].[Ru+2]
• InChI: InChI=1S/3C24H16N2O6S2.Na.Ru.H/c3*27-33(28,29)23-20(16-9-5-2-6-10-16)19-12-11-18-17(15-7-3-1-4-8-15)13-14-25-21(18)22(19)26-24(23)34(30,31)32;;;/h3*1-14H,(H,27,28,29)(H,30,31,32);;;/q;;;+1;+2;-1/p-6
• InChIKey: ZEYOZHDDZJWWPY-UHFFFAOYSA-H
• XLogP: 8.89
• TPSA: 420.54 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.62
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)?

The IUPAC name of sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+) (CID 173117845) is sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+).

What is the SMILES notation for sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)?

The canonical SMILES for sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+) is O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-].[H-].[Na+].[Ru+2].

What is the InChIKey of sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)?

The InChIKey is ZEYOZHDDZJWWPY-UHFFFAOYSA-H. The full InChI is InChI=1S/3C24H16N2O6S2.Na.Ru.H/c3*27-33(28,29)23-20(16-9-5-2-6-10-16)19-12-11-18-17(15-7-3-1-4-8-15)13-14-25-21(18)22(19)26-24(23)34(30,31)32;;;/h3*1-14H,(H,27,28,29)(H,30,31,32);;;/q;;;+1;+2;-1/p-6.

What are the key properties of sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+)?

sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+) has a molecular weight of 1596.62 g/mol, XLogP of 8.89, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tris(4,7-diphenyl-1,10-phenanthroline-2,3-disulfonate);hydride;ruthenium(2+) is sourced from PubChem (CID 173117845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).