tris(4-cyclohexylphenyl)-phenacylphosphanium

C44H52OP+ — CID 139734395

IUPACtris(4-cyclohexylphenyl)-phenacylphosphanium
SMILESO=C(C[P+](c1ccc(C2CCCCC2)cc1)(c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C44H52OP/c45-44(40-19-11-4-12-20-40)33-46(41-27-21-37(22-28-41)34-13-5-1-6-14-34,42-29-23-38(24-30-42)35-15-7-2-8-16-35)43-31-25-39(26-32-43)36-17-9-3-10-18-36/h4,11-12,19-32,34-36H,1-3,5-10,13-18,33H2/q+1
InChIKeyQZZDLIZSSHSXCZ-UHFFFAOYSA-N
MW627.87 g/mol
LogP11.01
Rot. Bonds9

About tris(4-cyclohexylphenyl)-phenacylphosphanium

tris(4-cyclohexylphenyl)-phenacylphosphanium (PubChem CID 139734395) has the molecular formula C44H52OP+ and a molecular weight of 627.87 g/mol. Its IUPAC name is tris(4-cyclohexylphenyl)-phenacylphosphanium.

Molecular Properties

Compound Nametris(4-cyclohexylphenyl)-phenacylphosphanium
PubChem CID139734395
Molecular FormulaC44H52OP+
Molecular Weight627.87 g/mol
Exact Mass627.38
IUPAC Nametris(4-cyclohexylphenyl)-phenacylphosphanium
SMILESO=C(C[P+](c1ccc(C2CCCCC2)cc1)(c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C44H52OP/c45-44(40-19-11-4-12-20-40)33-46(41-27-21-37(22-28-41)34-13-5-1-6-14-34,42-29-23-38(24-30-42)35-15-7-2-8-16-35)43-31-25-39(26-32-43)36-17-9-3-10-18-36/h4,11-12,19-32,34-36H,1-3,5-10,13-18,33H2/q+1
InChIKeyQZZDLIZSSHSXCZ-UHFFFAOYSA-N
XLogP11.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.87
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexylpyridin-1-ium-1-yl)-1-phenylethanone
CID 139731685
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 4993605
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
(2S)-2-(benzylazaniumyl)-4-(4-cyclohexylphenyl)-4-oxobutanoate
CID 7034999
N-(4-cyclohexylphenyl)benzamide
CID 10333838
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
CID 159076923
CID 159076923

Frequently Asked Questions

What is the IUPAC name of tris(4-cyclohexylphenyl)-phenacylphosphanium?
The IUPAC name of tris(4-cyclohexylphenyl)-phenacylphosphanium (CID 139734395) is tris(4-cyclohexylphenyl)-phenacylphosphanium.
What is the SMILES notation for tris(4-cyclohexylphenyl)-phenacylphosphanium?
The canonical SMILES for tris(4-cyclohexylphenyl)-phenacylphosphanium is O=C(C[P+](c1ccc(C2CCCCC2)cc1)(c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of tris(4-cyclohexylphenyl)-phenacylphosphanium?
The InChIKey is QZZDLIZSSHSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52OP/c45-44(40-19-11-4-12-20-40)33-46(41-27-21-37(22-28-41)34-13-5-1-6-14-34,42-29-23-38(24-30-42)35-15-7-2-8-16-35)43-31-25-39(26-32-43)36-17-9-3-10-18-36/h4,11-12,19-32,34-36H,1-3,5-10,13-18,33H2/q+1.
What are the key properties of tris(4-cyclohexylphenyl)-phenacylphosphanium?
tris(4-cyclohexylphenyl)-phenacylphosphanium has a molecular weight of 627.87 g/mol, XLogP of 11.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-cyclohexylphenyl)-phenacylphosphanium is sourced from PubChem (CID 139734395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).