methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)

C19H42P4Ru — CID 134898624

IUPACmethanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)
SMILESCP(C)C.CP(C)C.CP(C)C.CP(C)C.[CH2-]c1[c-]cccc1.[Ru+2]
InChIInChI=1S/C7H6.4C3H9P.Ru/c1-7-5-3-2-4-6-7;4*1-4(2)3;/h2-5H,1H2;4*1-3H3;/q-2;;;;;+2
InChIKeyDDWFATLWNDEQAT-UHFFFAOYSA-N
MW495.51 g/mol
LogP7.10
Rot. Bonds

About methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)

methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane) (PubChem CID 134898624) has the molecular formula C19H42P4Ru and a molecular weight of 495.51 g/mol. Its IUPAC name is methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane).

Molecular Properties

Compound Namemethanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)
PubChem CID134898624
Molecular FormulaC19H42P4Ru
Molecular Weight495.51 g/mol
Exact Mass496.13
IUPAC Namemethanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)
SMILESCP(C)C.CP(C)C.CP(C)C.CP(C)C.[CH2-]c1[c-]cccc1.[Ru+2]
InChIInChI=1S/C7H6.4C3H9P.Ru/c1-7-5-3-2-4-6-7;4*1-4(2)3;/h2-5H,1H2;4*1-3H3;/q-2;;;;;+2
InChIKeyDDWFATLWNDEQAT-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 57.10
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

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Frequently Asked Questions

What is the IUPAC name of methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)?
The IUPAC name of methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane) (CID 134898624) is methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane).
What is the SMILES notation for methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)?
The canonical SMILES for methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane) is CP(C)C.CP(C)C.CP(C)C.CP(C)C.[CH2-]c1[c-]cccc1.[Ru+2].
What is the InChIKey of methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)?
The InChIKey is DDWFATLWNDEQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.4C3H9P.Ru/c1-7-5-3-2-4-6-7;4*1-4(2)3;/h2-5H,1H2;4*1-3H3;/q-2;;;;;+2.
What are the key properties of methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane)?
methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane) has a molecular weight of 495.51 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylbenzene;ruthenium(2+);tetrakis(trimethylphosphane) is sourced from PubChem (CID 134898624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).