14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride

C32H53ClP2 — CID 88731911

IUPAC14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
SMILESCC[P+](CC)(CC)CCCCCCCCCCCCCCP(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C32H53P2.ClH/c1-4-34(5-2,6-3)30-24-16-14-12-10-8-7-9-11-13-15-23-29-33(31-25-19-17-20-26-31)32-27-21-18-22-28-32;/h17-22,25-28H,4-16,23-24,29-30H2,1-3H3;1H/q+1;/p-1
InChIKeyKSZCCXHUMWTMME-UHFFFAOYSA-M
MW535.18 g/mol
LogP6.88
Rot. Bonds20

About 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride

14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride (PubChem CID 88731911) has the molecular formula C32H53ClP2 and a molecular weight of 535.18 g/mol. Its IUPAC name is 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride.

Molecular Properties

Compound Name14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
PubChem CID88731911
Molecular FormulaC32H53ClP2
Molecular Weight535.18 g/mol
Exact Mass534.33
IUPAC Name14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
SMILESCC[P+](CC)(CC)CCCCCCCCCCCCCCP(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C32H53P2.ClH/c1-4-34(5-2,6-3)30-24-16-14-12-10-8-7-9-11-13-15-23-29-33(31-25-19-17-20-26-31)32-27-21-18-22-28-32;/h17-22,25-28H,4-16,23-24,29-30H2,1-3H3;1H/q+1;/p-1
InChIKeyKSZCCXHUMWTMME-UHFFFAOYSA-M
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.18
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium
CID 101086427
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
4-diphenylphosphanylbutyl-methyl-diphenylphosphanium;methanesulfonate
CID 88698780
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 170997457
8-diphenylphosphanyloctanoic acid
CID 20679688
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
CID 139239630
10-diphenylphosphanyldecanoic acid
CID 71402645

Frequently Asked Questions

What is the IUPAC name of 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride?
The IUPAC name of 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride (CID 88731911) is 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride.
What is the SMILES notation for 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride?
The canonical SMILES for 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride is CC[P+](CC)(CC)CCCCCCCCCCCCCCP(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride?
The InChIKey is KSZCCXHUMWTMME-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H53P2.ClH/c1-4-34(5-2,6-3)30-24-16-14-12-10-8-7-9-11-13-15-23-29-33(31-25-19-17-20-26-31)32-27-21-18-22-28-32;/h17-22,25-28H,4-16,23-24,29-30H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride?
14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride has a molecular weight of 535.18 g/mol, XLogP of 6.88, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride is sourced from PubChem (CID 88731911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).