phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)

C25H47OP4Ru — CID 134898725

IUPACphenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)
SMILESCP(C)C.CP(C)C.CP(C)C.CP(C)C.OC(c1[c-]cccc1)c1ccccc1.[Ru+]
InChIInChI=1S/C13H11O.4C3H9P.Ru/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*1-4(2)3;/h1-9,13-14H;4*1-3H3;/q-1;;;;;+1
InChIKeyBRTDDIBKMNPBLB-UHFFFAOYSA-N
MW588.62 g/mol
LogP8.00
Rot. Bonds2

About phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)

phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane) (PubChem CID 134898725) has the molecular formula C25H47OP4Ru and a molecular weight of 588.62 g/mol. Its IUPAC name is phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane).

Molecular Properties

Compound Namephenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)
PubChem CID134898725
Molecular FormulaC25H47OP4Ru
Molecular Weight588.62 g/mol
Exact Mass589.16
IUPAC Namephenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)
SMILESCP(C)C.CP(C)C.CP(C)C.CP(C)C.OC(c1[c-]cccc1)c1ccccc1.[Ru+]
InChIInChI=1S/C13H11O.4C3H9P.Ru/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*1-4(2)3;/h1-9,13-14H;4*1-3H3;/q-1;;;;;+1
InChIKeyBRTDDIBKMNPBLB-UHFFFAOYSA-N
XLogP8.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.62
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)?
The IUPAC name of phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane) (CID 134898725) is phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane).
What is the SMILES notation for phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)?
The canonical SMILES for phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane) is CP(C)C.CP(C)C.CP(C)C.CP(C)C.OC(c1[c-]cccc1)c1ccccc1.[Ru+].
What is the InChIKey of phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)?
The InChIKey is BRTDDIBKMNPBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O.4C3H9P.Ru/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*1-4(2)3;/h1-9,13-14H;4*1-3H3;/q-1;;;;;+1.
What are the key properties of phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)?
phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane) has a molecular weight of 588.62 g/mol, XLogP of 8.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane) is sourced from PubChem (CID 134898725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).