[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium

C55H58P2Ru — CID 175888686

IUPAC[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium
SMILES[Ru].c1ccc(C(PCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)PCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H58P2.Ru/c1-10-28-46(29-11-1)53(56-44-26-8-24-42-54(47-30-12-2-13-31-47,48-32-14-3-15-33-48)49-34-16-4-17-35-49)57-45-27-9-25-43-55(50-36-18-5-19-37-50,51-38-20-6-21-39-51)52-40-22-7-23-41-52;/h1-7,10-23,28-41,53,56-57H,8-9,24-27,42-45H2;
InChIKeyXAXGTLBTMIATLY-UHFFFAOYSA-N
MW882.09 g/mol
LogP15.23
Rot. Bonds21

About [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium

[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium (PubChem CID 175888686) has the molecular formula C55H58P2Ru and a molecular weight of 882.09 g/mol. Its IUPAC name is [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium.

Molecular Properties

Compound Name[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium
PubChem CID175888686
Molecular FormulaC55H58P2Ru
Molecular Weight882.09 g/mol
Exact Mass882.31
IUPAC Name[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium
SMILES[Ru].c1ccc(C(PCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)PCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H58P2.Ru/c1-10-28-46(29-11-1)53(56-44-26-8-24-42-54(47-30-12-2-13-31-47,48-32-14-3-15-33-48)49-34-16-4-17-35-49)57-45-27-9-25-43-55(50-36-18-5-19-37-50,51-38-20-6-21-39-51)52-40-22-7-23-41-52;/h1-7,10-23,28-41,53,56-57H,8-9,24-27,42-45H2;
InChIKeyXAXGTLBTMIATLY-UHFFFAOYSA-N
XLogP15.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.09
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 139644220
13,13,13-triphenyltridecylphosphanium bromide
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10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecan-1-ol
CID 150406449
14,14,14-triphenyltetradecylazanium bromide
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CID 175940887
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
10,10,10-triphenyldecylhydrazine
CID 150931504
heptadecyl(3,3,3-triphenylpropyl)phosphane
CID 69389149
7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419
CID 123237849
CID 123237849

Frequently Asked Questions

What is the IUPAC name of [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium?
The IUPAC name of [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium (CID 175888686) is [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium.
What is the SMILES notation for [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium?
The canonical SMILES for [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium is [Ru].c1ccc(C(PCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)PCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium?
The InChIKey is XAXGTLBTMIATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58P2.Ru/c1-10-28-46(29-11-1)53(56-44-26-8-24-42-54(47-30-12-2-13-31-47,48-32-14-3-15-33-48)49-34-16-4-17-35-49)57-45-27-9-25-43-55(50-36-18-5-19-37-50,51-38-20-6-21-39-51)52-40-22-7-23-41-52;/h1-7,10-23,28-41,53,56-57H,8-9,24-27,42-45H2;.
What are the key properties of [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium?
[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium has a molecular weight of 882.09 g/mol, XLogP of 15.23, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium is sourced from PubChem (CID 175888686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).