dichlororuthenium;tris(1,10-phenanthroline);hexahydrate

C36H36Cl2N6O6Ru — CID 53393580

IUPACdichlororuthenium;tris(1,10-phenanthroline);hexahydrate
SMILESCl[Ru]Cl.O.O.O.O.O.O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2ClH.6H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2
InChIKeyUUSPGQXHSZVVNL-UHFFFAOYSA-L
MW820.70 g/mol
LogP4.78
Rot. Bonds

About dichlororuthenium;tris(1,10-phenanthroline);hexahydrate

dichlororuthenium;tris(1,10-phenanthroline);hexahydrate (PubChem CID 53393580) has the molecular formula C36H36Cl2N6O6Ru and a molecular weight of 820.70 g/mol. Its IUPAC name is dichlororuthenium;tris(1,10-phenanthroline);hexahydrate.

Molecular Properties

Compound Namedichlororuthenium;tris(1,10-phenanthroline);hexahydrate
PubChem CID53393580
Molecular FormulaC36H36Cl2N6O6Ru
Molecular Weight820.70 g/mol
Exact Mass820.11
IUPAC Namedichlororuthenium;tris(1,10-phenanthroline);hexahydrate
SMILESCl[Ru]Cl.O.O.O.O.O.O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2ClH.6H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2
InChIKeyUUSPGQXHSZVVNL-UHFFFAOYSA-L
XLogP4.78
TPSA266.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500820.70
LogP ≤ 54.78
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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Related Compounds

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bis(1,10-phenanthroline);ruthenium
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bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
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dichlorocopper;hydrogen peroxide;1,10-phenanthroline
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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tris(1,10-phenanthroline);hexahydrate?
The IUPAC name of dichlororuthenium;tris(1,10-phenanthroline);hexahydrate (CID 53393580) is dichlororuthenium;tris(1,10-phenanthroline);hexahydrate.
What is the SMILES notation for dichlororuthenium;tris(1,10-phenanthroline);hexahydrate?
The canonical SMILES for dichlororuthenium;tris(1,10-phenanthroline);hexahydrate is Cl[Ru]Cl.O.O.O.O.O.O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dichlororuthenium;tris(1,10-phenanthroline);hexahydrate?
The InChIKey is UUSPGQXHSZVVNL-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H8N2.2ClH.6H2O.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;tris(1,10-phenanthroline);hexahydrate?
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate has a molecular weight of 820.70 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(1,10-phenanthroline);hexahydrate is sourced from PubChem (CID 53393580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).