tris(carboxymethyl(triphenyl)phosphanium);ruthenium

C60H54O6P3Ru+3 — CID 154640778

IUPACtris(carboxymethyl(triphenyl)phosphanium);ruthenium
SMILESO=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Ru]
InChIInChI=1S/3C20H17O2P.Ru/c3*21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h3*1-15H,16H2;/p+3
InChIKeyGWORZWPXRSAVTI-UHFFFAOYSA-Q
MW1065.08 g/mol
LogP9.19
Rot. Bonds15

About tris(carboxymethyl(triphenyl)phosphanium);ruthenium

tris(carboxymethyl(triphenyl)phosphanium);ruthenium (PubChem CID 154640778) has the molecular formula C60H54O6P3Ru+3 and a molecular weight of 1065.08 g/mol. Its IUPAC name is tris(carboxymethyl(triphenyl)phosphanium);ruthenium.

Molecular Properties

Compound Nametris(carboxymethyl(triphenyl)phosphanium);ruthenium
PubChem CID154640778
Molecular FormulaC60H54O6P3Ru+3
Molecular Weight1065.08 g/mol
Exact Mass1065.22
IUPAC Nametris(carboxymethyl(triphenyl)phosphanium);ruthenium
SMILESO=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Ru]
InChIInChI=1S/3C20H17O2P.Ru/c3*21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h3*1-15H,16H2;/p+3
InChIKeyGWORZWPXRSAVTI-UHFFFAOYSA-Q
XLogP9.19
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.08
LogP ≤ 59.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
(2-oxo-2-phenoxyethyl)-triphenylphosphanium tetrafluoroborate
CID 10600883
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
CID 23119083
(3-chloro-2-oxopropyl)-triphenylphosphanium chloride
CID 2773628
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
CID 58085087
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
2-oxopentyl(triphenyl)phosphanium
CID 20542903
(3-ethoxy-2,3-dioxopropyl)-triphenylphosphanium bromide
CID 2773638
2-carboxyethoxymethyl(triphenyl)phosphanium
CID 20558069
(5-carboxy-3,4-dimethylpentyl)-triphenylphosphanium
CID 86733262

Frequently Asked Questions

What is the IUPAC name of tris(carboxymethyl(triphenyl)phosphanium);ruthenium?
The IUPAC name of tris(carboxymethyl(triphenyl)phosphanium);ruthenium (CID 154640778) is tris(carboxymethyl(triphenyl)phosphanium);ruthenium.
What is the SMILES notation for tris(carboxymethyl(triphenyl)phosphanium);ruthenium?
The canonical SMILES for tris(carboxymethyl(triphenyl)phosphanium);ruthenium is O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Ru].
What is the InChIKey of tris(carboxymethyl(triphenyl)phosphanium);ruthenium?
The InChIKey is GWORZWPXRSAVTI-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C20H17O2P.Ru/c3*21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h3*1-15H,16H2;/p+3.
What are the key properties of tris(carboxymethyl(triphenyl)phosphanium);ruthenium?
tris(carboxymethyl(triphenyl)phosphanium);ruthenium has a molecular weight of 1065.08 g/mol, XLogP of 9.19, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carboxymethyl(triphenyl)phosphanium);ruthenium is sourced from PubChem (CID 154640778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).