[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium

C36H36OP+ — CID 19755661

IUPAC[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium
SMILESc1ccc(OCCCCCc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C36H36OP/c1-7-17-33(18-8-1)37-29-15-5-6-16-31-25-27-32(28-26-31)30-38(34-19-9-2-10-20-34,35-21-11-3-12-22-35)36-23-13-4-14-24-36/h1-4,7-14,17-28H,5-6,15-16,29-30H2/q+1
InChIKeyMVVWMZQBCRLZQA-UHFFFAOYSA-N
MW515.66 g/mol
LogP7.97
Rot. Bonds12

About [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium

[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium (PubChem CID 19755661) has the molecular formula C36H36OP+ and a molecular weight of 515.66 g/mol. Its IUPAC name is [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium
PubChem CID19755661
Molecular FormulaC36H36OP+
Molecular Weight515.66 g/mol
Exact Mass515.25
IUPAC Name[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium
SMILESc1ccc(OCCCCCc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C36H36OP/c1-7-17-33(18-8-1)37-29-15-5-6-16-31-25-27-32(28-26-31)30-38(34-19-9-2-10-20-34,35-21-11-3-12-22-35)36-23-13-4-14-24-36/h1-4,7-14,17-28H,5-6,15-16,29-30H2/q+1
InChIKeyMVVWMZQBCRLZQA-UHFFFAOYSA-N
XLogP7.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
CID 23124762
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
(4-nonylphenyl)methyl-triphenylphosphanium
CID 21284846
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
(4-octylphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175114821
1-(bromomethyl)-4-(5-phenoxypentyl)benzene
CID 14576783
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphanium
CID 19755692
[4-(4-nonylphenyl)phenyl]methyl-triphenylphosphanium bromide
CID 19863171
4-(5-phenoxypentyl)pyridine
CID 117060417
(4-butoxyphenyl)methyl-triphenylphosphanium acetate
CID 87191199

Frequently Asked Questions

What is the IUPAC name of [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium (CID 19755661) is [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium is c1ccc(OCCCCCc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium?
The InChIKey is MVVWMZQBCRLZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36OP/c1-7-17-33(18-8-1)37-29-15-5-6-16-31-25-27-32(28-26-31)30-38(34-19-9-2-10-20-34,35-21-11-3-12-22-35)36-23-13-4-14-24-36/h1-4,7-14,17-28H,5-6,15-16,29-30H2/q+1.
What are the key properties of [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium?
[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium has a molecular weight of 515.66 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 19755661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).