dichlororuthenium;bis(methyl(diphenyl)phosphane)

C26H26Cl2P2Ru — CID 175433637

IUPACdichlororuthenium;bis(methyl(diphenyl)phosphane)
SMILESCP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.Cl[Ru]Cl
InChIInChI=1S/2C13H13P.2ClH.Ru/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyCGYDFETVPPBCML-UHFFFAOYSA-L
MW572.42 g/mol
LogP6.87
Rot. Bonds4

About dichlororuthenium;bis(methyl(diphenyl)phosphane)

dichlororuthenium;bis(methyl(diphenyl)phosphane) (PubChem CID 175433637) has the molecular formula C26H26Cl2P2Ru and a molecular weight of 572.42 g/mol. Its IUPAC name is dichlororuthenium;bis(methyl(diphenyl)phosphane).

Molecular Properties

Compound Namedichlororuthenium;bis(methyl(diphenyl)phosphane)
PubChem CID175433637
Molecular FormulaC26H26Cl2P2Ru
Molecular Weight572.42 g/mol
Exact Mass571.99
IUPAC Namedichlororuthenium;bis(methyl(diphenyl)phosphane)
SMILESCP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.Cl[Ru]Cl
InChIInChI=1S/2C13H13P.2ClH.Ru/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyCGYDFETVPPBCML-UHFFFAOYSA-L
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.42
LogP ≤ 56.87
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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gold(1+);methyl(diphenyl)phosphane;trifluoromethane
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dichlororuthenium;triphenylphosphane;hydrate
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ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838
[methyl(phenyl)phosphanyl]boranuide
CID 102383944
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126
CID 11278244
CID 11278244
CID 19922556
CID 19922556
2-[methyl(phenyl)phosphanyl]phenol
CID 11820610

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(methyl(diphenyl)phosphane)?
The IUPAC name of dichlororuthenium;bis(methyl(diphenyl)phosphane) (CID 175433637) is dichlororuthenium;bis(methyl(diphenyl)phosphane).
What is the SMILES notation for dichlororuthenium;bis(methyl(diphenyl)phosphane)?
The canonical SMILES for dichlororuthenium;bis(methyl(diphenyl)phosphane) is CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;bis(methyl(diphenyl)phosphane)?
The InChIKey is CGYDFETVPPBCML-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H13P.2ClH.Ru/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;bis(methyl(diphenyl)phosphane)?
dichlororuthenium;bis(methyl(diphenyl)phosphane) has a molecular weight of 572.42 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(methyl(diphenyl)phosphane) is sourced from PubChem (CID 175433637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).