dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium

C50H74P2+2 — CID 102531714

IUPACdodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
SMILESCCCCCCCCCCCC[P+](CC[P+](CCCCCCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H74P2/c1-3-5-7-9-11-13-15-17-19-33-43-51(47-35-25-21-26-36-47,48-37-27-22-28-38-48)45-46-52(49-39-29-23-30-40-49,50-41-31-24-32-42-50)44-34-20-18-16-14-12-10-8-6-4-2/h21-32,35-42H,3-20,33-34,43-46H2,1-2H3/q+2
InChIKeyXLKMURSCODYQTR-UHFFFAOYSA-N
MW737.09 g/mol
LogP14.17
Rot. Bonds29

About dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium

dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium (PubChem CID 102531714) has the molecular formula C50H74P2+2 and a molecular weight of 737.09 g/mol. Its IUPAC name is dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium.

Molecular Properties

Compound Namedodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
PubChem CID102531714
Molecular FormulaC50H74P2+2
Molecular Weight737.09 g/mol
Exact Mass736.53
IUPAC Namedodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
SMILESCCCCCCCCCCCC[P+](CC[P+](CCCCCCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H74P2/c1-3-5-7-9-11-13-15-17-19-33-43-51(47-35-25-21-26-36-47,48-37-27-22-28-38-48)45-46-52(49-39-29-23-30-40-49,50-41-31-24-32-42-50)44-34-20-18-16-14-12-10-8-6-4-2/h21-32,35-42H,3-20,33-34,43-46H2,1-2H3/q+2
InChIKeyXLKMURSCODYQTR-UHFFFAOYSA-N
XLogP14.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.09
LogP ≤ 514.17
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'}

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Related Compounds

decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
decyl-dimethyl-phenylphosphanium
CID 67813887
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
diphenyl(dipropyl)phosphanium chloride
CID 69307646
hydroxy-octyl-diphenylphosphanium
CID 67135899

Frequently Asked Questions

What is the IUPAC name of dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium?
The IUPAC name of dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium (CID 102531714) is dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium.
What is the SMILES notation for dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium?
The canonical SMILES for dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium is CCCCCCCCCCCC[P+](CC[P+](CCCCCCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium?
The InChIKey is XLKMURSCODYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H74P2/c1-3-5-7-9-11-13-15-17-19-33-43-51(47-35-25-21-26-36-47,48-37-27-22-28-38-48)45-46-52(49-39-29-23-30-40-49,50-41-31-24-32-42-50)44-34-20-18-16-14-12-10-8-6-4-2/h21-32,35-42H,3-20,33-34,43-46H2,1-2H3/q+2.
What are the key properties of dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium?
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium has a molecular weight of 737.09 g/mol, XLogP of 14.17, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium is sourced from PubChem (CID 102531714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).