diphenylphosphanyl-diphenyl-propylphosphanium

C27H27P2+ — CID 88639997

IUPACdiphenylphosphanyl-diphenyl-propylphosphanium
SMILESCCC[P+](c1ccccc1)(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27P2/c1-2-23-29(26-19-11-5-12-20-26,27-21-13-6-14-22-27)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22H,2,23H2,1H3/q+1
InChIKeyOAMGDWJGQMRDSE-UHFFFAOYSA-N
MW413.46 g/mol
LogP6.11
Rot. Bonds7

About diphenylphosphanyl-diphenyl-propylphosphanium

diphenylphosphanyl-diphenyl-propylphosphanium (PubChem CID 88639997) has the molecular formula C27H27P2+ and a molecular weight of 413.46 g/mol. Its IUPAC name is diphenylphosphanyl-diphenyl-propylphosphanium.

Molecular Properties

Compound Namediphenylphosphanyl-diphenyl-propylphosphanium
PubChem CID88639997
Molecular FormulaC27H27P2+
Molecular Weight413.46 g/mol
Exact Mass413.16
IUPAC Namediphenylphosphanyl-diphenyl-propylphosphanium
SMILESCCC[P+](c1ccccc1)(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27P2/c1-2-23-29(26-19-11-5-12-20-26,27-21-13-6-14-22-27)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22H,2,23H2,1H3/q+1
InChIKeyOAMGDWJGQMRDSE-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 56.11
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

dichlorophosphanyl-diphenyl-propylphosphanium
CID 175287406
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
diphenyl(dipropyl)phosphanium chloride
CID 69307646
methyl-phenyl-dipropylphosphanium
CID 70584071
ethyl-methyl-phenyl-propylphosphanium
CID 2785204
butane;triphenylphosphane
CID 161447439
hexyl(triphenyl)phosphanium
CID 2724570
1-methoxybutyl(diphenyl)phosphane
CID 126564219
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-diphenyl-propylphosphanium?
The IUPAC name of diphenylphosphanyl-diphenyl-propylphosphanium (CID 88639997) is diphenylphosphanyl-diphenyl-propylphosphanium.
What is the SMILES notation for diphenylphosphanyl-diphenyl-propylphosphanium?
The canonical SMILES for diphenylphosphanyl-diphenyl-propylphosphanium is CCC[P+](c1ccccc1)(c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl-diphenyl-propylphosphanium?
The InChIKey is OAMGDWJGQMRDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27P2/c1-2-23-29(26-19-11-5-12-20-26,27-21-13-6-14-22-27)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22H,2,23H2,1H3/q+1.
What are the key properties of diphenylphosphanyl-diphenyl-propylphosphanium?
diphenylphosphanyl-diphenyl-propylphosphanium has a molecular weight of 413.46 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-diphenyl-propylphosphanium is sourced from PubChem (CID 88639997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).