chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)

C21H38ClP3Ru+3 — CID 58599965

IUPACchlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
SMILESC[PH+](C)C.C[PH+](C)C.C[PH+](C)C.Cl[Ru+2].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.3C3H9P.ClH.Ru/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-4(2)3;;/h1-7,9H;3*1-3H3;1H;/q-2;;;;;+3/p+2
InChIKeyVIDHVQMAEMSTLQ-UHFFFAOYSA-P
MW519.98 g/mol
LogP6.91
Rot. Bonds1

About chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)

chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium) (PubChem CID 58599965) has the molecular formula C21H38ClP3Ru+3 and a molecular weight of 519.98 g/mol. Its IUPAC name is chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium).

Molecular Properties

Compound Namechlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
PubChem CID58599965
Molecular FormulaC21H38ClP3Ru+3
Molecular Weight519.98 g/mol
Exact Mass520.09
IUPAC Namechlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
SMILESC[PH+](C)C.C[PH+](C)C.C[PH+](C)C.Cl[Ru+2].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.3C3H9P.ClH.Ru/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-4(2)3;;/h1-7,9H;3*1-3H3;1H;/q-2;;;;;+3/p+2
InChIKeyVIDHVQMAEMSTLQ-UHFFFAOYSA-P
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.98
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
CID 158441264
N-methyl-2-phenylaniline;palladium
CID 142737599
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)?
The IUPAC name of chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium) (CID 58599965) is chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium).
What is the SMILES notation for chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)?
The canonical SMILES for chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium) is C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.Cl[Ru+2].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)?
The InChIKey is VIDHVQMAEMSTLQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H8.3C3H9P.ClH.Ru/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-4(2)3;;/h1-7,9H;3*1-3H3;1H;/q-2;;;;;+3/p+2.
What are the key properties of chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)?
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium) has a molecular weight of 519.98 g/mol, XLogP of 6.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium) is sourced from PubChem (CID 58599965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).