[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium

C37H32ClP3+2 — CID 16699993

IUPAC[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium
SMILESClCP([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32ClP3/c38-31-39(40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)41(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H,31H2/q+2
InChIKeyPTSYUFISEBXVMV-UHFFFAOYSA-N
MW605.04 g/mol
LogP8.48
Rot. Bonds9

About [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium

[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium (PubChem CID 16699993) has the molecular formula C37H32ClP3+2 and a molecular weight of 605.04 g/mol. Its IUPAC name is [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium.

Molecular Properties

Compound Name[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium
PubChem CID16699993
Molecular FormulaC37H32ClP3+2
Molecular Weight605.04 g/mol
Exact Mass604.14
IUPAC Name[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium
SMILESClCP([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32ClP3/c38-31-39(40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)41(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H,31H2/q+2
InChIKeyPTSYUFISEBXVMV-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.04
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085
triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118369
platinum;tetrakis(triphenyl(phosphanyl)phosphanium)
CID 173227828
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
chloro-ethyl-diphenylphosphanium
CID 15830242
dichloromethane;triphenyl(phenylselanyl)phosphanium;iodide
CID 139183805
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
palladium;tetraphenylphosphanium
CID 76575044
chloroplatinum;hydroxymethyl(triphenyl)phosphanium
CID 174615744
bis(dimethylamino)-diphenylphosphanium
CID 23415226

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium?
The IUPAC name of [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium (CID 16699993) is [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium.
What is the SMILES notation for [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium?
The canonical SMILES for [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium is ClCP([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium?
The InChIKey is PTSYUFISEBXVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32ClP3/c38-31-39(40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)41(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H,31H2/q+2.
What are the key properties of [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium?
[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium has a molecular weight of 605.04 g/mol, XLogP of 8.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium is sourced from PubChem (CID 16699993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).