triphenyl-(4-propan-2-ylphenyl)phosphanium chloride

C27H26ClP — CID 157172125

IUPACtriphenyl-(4-propan-2-ylphenyl)phosphanium chloride
SMILESCC(C)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C27H26P.ClH/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-22H,1-2H3;1H/q+1;/p-1
InChIKeyANPAOROEHZEYKZ-UHFFFAOYSA-M
MW416.93 g/mol
LogP2.43
Rot. Bonds5

About triphenyl-(4-propan-2-ylphenyl)phosphanium chloride

triphenyl-(4-propan-2-ylphenyl)phosphanium chloride (PubChem CID 157172125) has the molecular formula C27H26ClP and a molecular weight of 416.93 g/mol. Its IUPAC name is triphenyl-(4-propan-2-ylphenyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl-(4-propan-2-ylphenyl)phosphanium chloride
PubChem CID157172125
Molecular FormulaC27H26ClP
Molecular Weight416.93 g/mol
Exact Mass416.15
IUPAC Nametriphenyl-(4-propan-2-ylphenyl)phosphanium chloride
SMILESCC(C)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C27H26P.ClH/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-22H,1-2H3;1H/q+1;/p-1
InChIKeyANPAOROEHZEYKZ-UHFFFAOYSA-M
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.43
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

cumene;ruthenium(2+);dichloride
CID 23094461
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
palladium;tetraphenylphosphanium
CID 76575044
CID 160506105
CID 160506105
copper;cumene;manganese
CID 175691003
azane;cumene;hydrochloride
CID 175202155

Frequently Asked Questions

What is the IUPAC name of triphenyl-(4-propan-2-ylphenyl)phosphanium chloride?
The IUPAC name of triphenyl-(4-propan-2-ylphenyl)phosphanium chloride (CID 157172125) is triphenyl-(4-propan-2-ylphenyl)phosphanium chloride.
What is the SMILES notation for triphenyl-(4-propan-2-ylphenyl)phosphanium chloride?
The canonical SMILES for triphenyl-(4-propan-2-ylphenyl)phosphanium chloride is CC(C)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of triphenyl-(4-propan-2-ylphenyl)phosphanium chloride?
The InChIKey is ANPAOROEHZEYKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26P.ClH/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-22H,1-2H3;1H/q+1;/p-1.
What are the key properties of triphenyl-(4-propan-2-ylphenyl)phosphanium chloride?
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride has a molecular weight of 416.93 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(4-propan-2-ylphenyl)phosphanium chloride is sourced from PubChem (CID 157172125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).