[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium

C35H35P2+ — CID 11016754

IUPAC[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
SMILESC[C@H](C[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H35P2/c1-29(36(31-18-8-3-9-19-31)32-20-10-4-11-21-32)28-30(2)37(33-22-12-5-13-23-33,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-27,29-30H,28H2,1-2H3/q+1/t29-,30-/m1/s1
InChIKeyQAFFMWMCRSIEIV-LOYHVIPDSA-N
MW517.61 g/mol
LogP7.28
Rot. Bonds9

About [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium

[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium (PubChem CID 11016754) has the molecular formula C35H35P2+ and a molecular weight of 517.61 g/mol. Its IUPAC name is [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
PubChem CID11016754
Molecular FormulaC35H35P2+
Molecular Weight517.61 g/mol
Exact Mass517.22
IUPAC Name[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
SMILESC[C@H](C[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H35P2/c1-29(36(31-18-8-3-9-19-31)32-20-10-4-11-21-32)28-30(2)37(33-22-12-5-13-23-33,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-27,29-30H,28H2,1-2H3/q+1/t29-,30-/m1/s1
InChIKeyQAFFMWMCRSIEIV-LOYHVIPDSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
CID 16726510
CID 16726510
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
lithium 4-diphenylphosphanylpentan-2-yl sulfate
CID 74085086
pentan-2-yl(triphenyl)phosphanium iodide
CID 161138332
4-cyclohexylpentan-2-yl(triphenyl)phosphanium
CID 89269199
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
octan-2-yl(diphenyl)phosphane
CID 18359504
[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
CID 139198951

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium?
The IUPAC name of [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium (CID 11016754) is [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium?
The canonical SMILES for [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium is C[C@H](C[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium?
The InChIKey is QAFFMWMCRSIEIV-LOYHVIPDSA-N. The full InChI is InChI=1S/C35H35P2/c1-29(36(31-18-8-3-9-19-31)32-20-10-4-11-21-32)28-30(2)37(33-22-12-5-13-23-33,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-27,29-30H,28H2,1-2H3/q+1/t29-,30-/m1/s1.
What are the key properties of [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium?
[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium has a molecular weight of 517.61 g/mol, XLogP of 7.28, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium is sourced from PubChem (CID 11016754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).