[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium

C43H36ClP3+2 — CID 122366708

IUPAC[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
SMILESClP(c1ccccc1)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H36ClP3/c44-45(36-22-8-1-9-23-36)43(46(37-24-10-2-11-25-37,38-26-12-3-13-27-38)39-28-14-4-15-29-39)47(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35,43H/q+2
InChIKeyOMPRNGWZTSXAOC-UHFFFAOYSA-N
MW681.14 g/mol
LogP9.22
Rot. Bonds10

About [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium

[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium (PubChem CID 122366708) has the molecular formula C43H36ClP3+2 and a molecular weight of 681.14 g/mol. Its IUPAC name is [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
PubChem CID122366708
Molecular FormulaC43H36ClP3+2
Molecular Weight681.14 g/mol
Exact Mass680.17
IUPAC Name[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
SMILESClP(c1ccccc1)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H36ClP3/c44-45(36-22-8-1-9-23-36)43(46(37-24-10-2-11-25-37,38-26-12-3-13-27-38)39-28-14-4-15-29-39)47(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35,43H/q+2
InChIKeyOMPRNGWZTSXAOC-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.14
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-phenyl-propan-2-ylphosphane
CID 10867074
[[chloro-[dichlorophosphanyl(methyl)amino]phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium
CID 122366701
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
bis(methylsulfanyl)methyl-triphenylphosphanium
CID 3580662
triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118369
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
triphenylphosphane
CID 139056248
chlorogold;triphenylphosphane
CID 10874691
chlorosilver;triphenylphosphane
CID 12824775
[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
CID 11016754
chloro-ethenyl-phenylphosphane
CID 154176878
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733

Frequently Asked Questions

What is the IUPAC name of [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
The IUPAC name of [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium (CID 122366708) is [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium.
What is the SMILES notation for [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
The canonical SMILES for [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium is ClP(c1ccccc1)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
The InChIKey is OMPRNGWZTSXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36ClP3/c44-45(36-22-8-1-9-23-36)43(46(37-24-10-2-11-25-37,38-26-12-3-13-27-38)39-28-14-4-15-29-39)47(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35,43H/q+2.
What are the key properties of [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium?
[[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium has a molecular weight of 681.14 g/mol, XLogP of 9.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[chloro(phenyl)phosphanyl]-triphenylphosphaniumylmethyl]-triphenylphosphanium is sourced from PubChem (CID 122366708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).