dichlororuthenium;tris(triphenylphosphanium)

C54H48Cl2P3Ru+3 — CID 6373698

IUPACdichlororuthenium;tris(triphenylphosphanium)
SMILESCl[Ru]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p+1
InChIKeyWIWBLJMBLGWSIN-UHFFFAOYSA-O
MW961.88 g/mol
LogP10.91
Rot. Bonds9

About dichlororuthenium;tris(triphenylphosphanium)

dichlororuthenium;tris(triphenylphosphanium) (PubChem CID 6373698) has the molecular formula C54H48Cl2P3Ru+3 and a molecular weight of 961.88 g/mol. Its IUPAC name is dichlororuthenium;tris(triphenylphosphanium).

Molecular Properties

Compound Namedichlororuthenium;tris(triphenylphosphanium)
PubChem CID6373698
Molecular FormulaC54H48Cl2P3Ru+3
Molecular Weight961.88 g/mol
Exact Mass961.14
IUPAC Namedichlororuthenium;tris(triphenylphosphanium)
SMILESCl[Ru]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p+1
InChIKeyWIWBLJMBLGWSIN-UHFFFAOYSA-O
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.88
LogP ≤ 510.91
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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hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;triphenylphosphanium
CID 22229115
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CID 88797109
tetrachloroosmium;bis(triphenylphosphanium)
CID 6389214
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
carbanide;nickel;triphenylphosphanium
CID 87436309
nickel;tris(trifluorophosphanium);triphenylphosphanium
CID 154702811
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321
dioxopalladium;triphenylphosphanium
CID 174842290
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CID 22165433

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tris(triphenylphosphanium)?
The IUPAC name of dichlororuthenium;tris(triphenylphosphanium) (CID 6373698) is dichlororuthenium;tris(triphenylphosphanium).
What is the SMILES notation for dichlororuthenium;tris(triphenylphosphanium)?
The canonical SMILES for dichlororuthenium;tris(triphenylphosphanium) is Cl[Ru]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;tris(triphenylphosphanium)?
The InChIKey is WIWBLJMBLGWSIN-UHFFFAOYSA-O. The full InChI is InChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p+1.
What are the key properties of dichlororuthenium;tris(triphenylphosphanium)?
dichlororuthenium;tris(triphenylphosphanium) has a molecular weight of 961.88 g/mol, XLogP of 10.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(triphenylphosphanium) is sourced from PubChem (CID 6373698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).