2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride

C29H30ClNOP2Ru+2 — CID 170920405

IUPAC2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride
SMILESC#[O+].[Cl-].[Ru+2].c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29NP2.CHO.ClH.Ru/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2;;/h1-20,29H,21-24H2;1H;1H;/q;+1;;+2/p-1
InChIKeyWFHMYFLIYPHUIM-UHFFFAOYSA-M
MW607.04 g/mol
LogP1.85
Rot. Bonds10

About 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride

2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride (PubChem CID 170920405) has the molecular formula C29H30ClNOP2Ru+2 and a molecular weight of 607.04 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride
PubChem CID170920405
Molecular FormulaC29H30ClNOP2Ru+2
Molecular Weight607.04 g/mol
Exact Mass607.05
IUPAC Name2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride
SMILESC#[O+].[Cl-].[Ru+2].c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H29NP2.CHO.ClH.Ru/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2;;/h1-20,29H,21-24H2;1H;1H;/q;+1;;+2/p-1
InChIKeyWFHMYFLIYPHUIM-UHFFFAOYSA-M
XLogP1.85
TPSA31.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.04
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride?
The IUPAC name of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride (CID 170920405) is 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride.
What is the SMILES notation for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride?
The canonical SMILES for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride is C#[O+].[Cl-].[Ru+2].c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride?
The InChIKey is WFHMYFLIYPHUIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H29NP2.CHO.ClH.Ru/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2;;/h1-20,29H,21-24H2;1H;1H;/q;+1;;+2/p-1.
What are the key properties of 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride?
2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride has a molecular weight of 607.04 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;methylidyneoxidanium;ruthenium(2+);chloride is sourced from PubChem (CID 170920405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).