dichlororuthenium;tris(tetraphenylphosphanium)

C72H60Cl2P3Ru+3 — CID 173166250

IUPACdichlororuthenium;tris(tetraphenylphosphanium)
SMILESCl[Ru]Cl.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C24H20P.2ClH.Ru/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h3*1-20H;2*1H;/q3*+1;;;+2/p-2
InChIKeyXYZLLSDCKKSXGF-UHFFFAOYSA-L
MW1190.17 g/mol
LogP14.29
Rot. Bonds12

About dichlororuthenium;tris(tetraphenylphosphanium)

dichlororuthenium;tris(tetraphenylphosphanium) (PubChem CID 173166250) has the molecular formula C72H60Cl2P3Ru+3 and a molecular weight of 1190.17 g/mol. Its IUPAC name is dichlororuthenium;tris(tetraphenylphosphanium).

Molecular Properties

Compound Namedichlororuthenium;tris(tetraphenylphosphanium)
PubChem CID173166250
Molecular FormulaC72H60Cl2P3Ru+3
Molecular Weight1190.17 g/mol
Exact Mass1189.23
IUPAC Namedichlororuthenium;tris(tetraphenylphosphanium)
SMILESCl[Ru]Cl.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C24H20P.2ClH.Ru/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h3*1-20H;2*1H;/q3*+1;;;+2/p-2
InChIKeyXYZLLSDCKKSXGF-UHFFFAOYSA-L
XLogP14.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.17
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(4-phenoxyphenyl)-triphenylphosphanium
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[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tris(tetraphenylphosphanium)?
The IUPAC name of dichlororuthenium;tris(tetraphenylphosphanium) (CID 173166250) is dichlororuthenium;tris(tetraphenylphosphanium).
What is the SMILES notation for dichlororuthenium;tris(tetraphenylphosphanium)?
The canonical SMILES for dichlororuthenium;tris(tetraphenylphosphanium) is Cl[Ru]Cl.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;tris(tetraphenylphosphanium)?
The InChIKey is XYZLLSDCKKSXGF-UHFFFAOYSA-L. The full InChI is InChI=1S/3C24H20P.2ClH.Ru/c3*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;;/h3*1-20H;2*1H;/q3*+1;;;+2/p-2.
What are the key properties of dichlororuthenium;tris(tetraphenylphosphanium)?
dichlororuthenium;tris(tetraphenylphosphanium) has a molecular weight of 1190.17 g/mol, XLogP of 14.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(tetraphenylphosphanium) is sourced from PubChem (CID 173166250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).