1,4,4-triphenylhexylphosphane;hydrochloride

C24H28ClP — CID 173224601

IUPAC1,4,4-triphenylhexylphosphane;hydrochloride
SMILESCCC(CCC(P)c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H27P.ClH/c1-2-24(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-18-23(25)20-12-6-3-7-13-20;/h3-17,23H,2,18-19,25H2,1H3;1H
InChIKeyQYYSITNLLOFOHN-UHFFFAOYSA-N
MW382.92 g/mol
LogP7.20
Rot. Bonds7

About 1,4,4-triphenylhexylphosphane;hydrochloride

1,4,4-triphenylhexylphosphane;hydrochloride (PubChem CID 173224601) has the molecular formula C24H28ClP and a molecular weight of 382.92 g/mol. Its IUPAC name is 1,4,4-triphenylhexylphosphane;hydrochloride.

Molecular Properties

Compound Name1,4,4-triphenylhexylphosphane;hydrochloride
PubChem CID173224601
Molecular FormulaC24H28ClP
Molecular Weight382.92 g/mol
Exact Mass382.16
IUPAC Name1,4,4-triphenylhexylphosphane;hydrochloride
SMILESCCC(CCC(P)c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C24H27P.ClH/c1-2-24(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-18-23(25)20-12-6-3-7-13-20;/h3-17,23H,2,18-19,25H2,1H3;1H
InChIKeyQYYSITNLLOFOHN-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4,4-triphenylhexylphosphane;hydrochloride 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

1-phenylheptylphosphane
CID 174874892
1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene
CID 56612113
4-ethyl-1-phenylhexane-1,4-diamine;dihydrochloride
CID 69455480
1,1,2-triphenylbutylphosphane
CID 19027387
[1-(4-tert-butylphenyl)-2-phosphanylethyl]phosphane
CID 144560796
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
2-methyl-1,2-diphenylbutan-1-olate
CID 5144156
(5,5-dimethyl-1-phenylheptyl)benzene
CID 57073199
3,3,3-triphenylpropylphosphane;hydrobromide
CID 118389375
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-methyl-3-phenylpent-1-en-3-ol
CID 79189457

Frequently Asked Questions

What is the IUPAC name of 1,4,4-triphenylhexylphosphane;hydrochloride?
The IUPAC name of 1,4,4-triphenylhexylphosphane;hydrochloride (CID 173224601) is 1,4,4-triphenylhexylphosphane;hydrochloride.
What is the SMILES notation for 1,4,4-triphenylhexylphosphane;hydrochloride?
The canonical SMILES for 1,4,4-triphenylhexylphosphane;hydrochloride is CCC(CCC(P)c1ccccc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1,4,4-triphenylhexylphosphane;hydrochloride?
The InChIKey is QYYSITNLLOFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27P.ClH/c1-2-24(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-18-23(25)20-12-6-3-7-13-20;/h3-17,23H,2,18-19,25H2,1H3;1H.
What are the key properties of 1,4,4-triphenylhexylphosphane;hydrochloride?
1,4,4-triphenylhexylphosphane;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-triphenylhexylphosphane;hydrochloride is sourced from PubChem (CID 173224601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).