ruthenium(2+);tetrakis(triphenylphosphane);dichloride

C72H60Cl2P4Ru — CID 46940376

IUPACruthenium(2+);tetrakis(triphenylphosphane);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2ClH.Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4*1-15H;2*1H;/q;;;;;;+2/p-2
InChIKeyOIWNHEPSSHYXTG-UHFFFAOYSA-L
MW1221.14 g/mol
LogP7.78
Rot. Bonds12

About ruthenium(2+);tetrakis(triphenylphosphane);dichloride

ruthenium(2+);tetrakis(triphenylphosphane);dichloride (PubChem CID 46940376) has the molecular formula C72H60Cl2P4Ru and a molecular weight of 1221.14 g/mol. Its IUPAC name is ruthenium(2+);tetrakis(triphenylphosphane);dichloride.

Molecular Properties

Compound Nameruthenium(2+);tetrakis(triphenylphosphane);dichloride
PubChem CID46940376
Molecular FormulaC72H60Cl2P4Ru
Molecular Weight1221.14 g/mol
Exact Mass1220.21
IUPAC Nameruthenium(2+);tetrakis(triphenylphosphane);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.2ClH.Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4*1-15H;2*1H;/q;;;;;;+2/p-2
InChIKeyOIWNHEPSSHYXTG-UHFFFAOYSA-L
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.14
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ruthenium(2+);tetrakis(triphenylphosphane);dichloride?
The IUPAC name of ruthenium(2+);tetrakis(triphenylphosphane);dichloride (CID 46940376) is ruthenium(2+);tetrakis(triphenylphosphane);dichloride.
What is the SMILES notation for ruthenium(2+);tetrakis(triphenylphosphane);dichloride?
The canonical SMILES for ruthenium(2+);tetrakis(triphenylphosphane);dichloride is [Cl-].[Cl-].[Ru+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ruthenium(2+);tetrakis(triphenylphosphane);dichloride?
The InChIKey is OIWNHEPSSHYXTG-UHFFFAOYSA-L. The full InChI is InChI=1S/4C18H15P.2ClH.Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4*1-15H;2*1H;/q;;;;;;+2/p-2.
What are the key properties of ruthenium(2+);tetrakis(triphenylphosphane);dichloride?
ruthenium(2+);tetrakis(triphenylphosphane);dichloride has a molecular weight of 1221.14 g/mol, XLogP of 7.78, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(2+);tetrakis(triphenylphosphane);dichloride is sourced from PubChem (CID 46940376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).