tris(1,10-phenanthroline);ruthenium(2+);dichloride

C36H24Cl2N6Ru — CID 138375736

IUPACtris(1,10-phenanthroline);ruthenium(2+);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
InChIKeyUWXWBVKIJZGXQL-UHFFFAOYSA-L
MW712.61 g/mol
LogP2.35
Rot. Bonds

About tris(1,10-phenanthroline);ruthenium(2+);dichloride

tris(1,10-phenanthroline);ruthenium(2+);dichloride (PubChem CID 138375736) has the molecular formula C36H24Cl2N6Ru and a molecular weight of 712.61 g/mol. Its IUPAC name is tris(1,10-phenanthroline);ruthenium(2+);dichloride.

Molecular Properties

Compound Nametris(1,10-phenanthroline);ruthenium(2+);dichloride
PubChem CID138375736
Molecular FormulaC36H24Cl2N6Ru
Molecular Weight712.61 g/mol
Exact Mass712.05
IUPAC Nametris(1,10-phenanthroline);ruthenium(2+);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
InChIKeyUWXWBVKIJZGXQL-UHFFFAOYSA-L
XLogP2.35
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.61
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1,10-phenanthroline);ruthenium(2+);dichloride?
The IUPAC name of tris(1,10-phenanthroline);ruthenium(2+);dichloride (CID 138375736) is tris(1,10-phenanthroline);ruthenium(2+);dichloride.
What is the SMILES notation for tris(1,10-phenanthroline);ruthenium(2+);dichloride?
The canonical SMILES for tris(1,10-phenanthroline);ruthenium(2+);dichloride is [Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(1,10-phenanthroline);ruthenium(2+);dichloride?
The InChIKey is UWXWBVKIJZGXQL-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2.
What are the key properties of tris(1,10-phenanthroline);ruthenium(2+);dichloride?
tris(1,10-phenanthroline);ruthenium(2+);dichloride has a molecular weight of 712.61 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,10-phenanthroline);ruthenium(2+);dichloride is sourced from PubChem (CID 138375736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).