triphenyl(12-phenylmethoxydodecyl)phosphanium

C37H46OP+ — CID 11061139

IUPACtriphenyl(12-phenylmethoxydodecyl)phosphanium
SMILESc1ccc(COCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H46OP/c1(3-5-7-21-31-38-33-34-23-13-9-14-24-34)2-4-6-8-22-32-39(35-25-15-10-16-26-35,36-27-17-11-18-28-36)37-29-19-12-20-30-37/h9-20,23-30H,1-8,21-22,31-33H2/q+1
InChIKeyCCABIOWYKXWLLR-UHFFFAOYSA-N
MW537.75 g/mol
LogP9.10
Rot. Bonds18

About triphenyl(12-phenylmethoxydodecyl)phosphanium

triphenyl(12-phenylmethoxydodecyl)phosphanium (PubChem CID 11061139) has the molecular formula C37H46OP+ and a molecular weight of 537.75 g/mol. Its IUPAC name is triphenyl(12-phenylmethoxydodecyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(12-phenylmethoxydodecyl)phosphanium
PubChem CID11061139
Molecular FormulaC37H46OP+
Molecular Weight537.75 g/mol
Exact Mass537.33
IUPAC Nametriphenyl(12-phenylmethoxydodecyl)phosphanium
SMILESc1ccc(COCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H46OP/c1(3-5-7-21-31-38-33-34-23-13-9-14-24-34)2-4-6-8-22-32-39(35-25-15-10-16-26-35,36-27-17-11-18-28-36)37-29-19-12-20-30-37/h9-20,23-30H,1-8,21-22,31-33H2/q+1
InChIKeyCCABIOWYKXWLLR-UHFFFAOYSA-N
XLogP9.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 59.10
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(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
15-bromopentadecoxymethylbenzene
CID 11338468
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919

Frequently Asked Questions

What is the IUPAC name of triphenyl(12-phenylmethoxydodecyl)phosphanium?
The IUPAC name of triphenyl(12-phenylmethoxydodecyl)phosphanium (CID 11061139) is triphenyl(12-phenylmethoxydodecyl)phosphanium.
What is the SMILES notation for triphenyl(12-phenylmethoxydodecyl)phosphanium?
The canonical SMILES for triphenyl(12-phenylmethoxydodecyl)phosphanium is c1ccc(COCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(12-phenylmethoxydodecyl)phosphanium?
The InChIKey is CCABIOWYKXWLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46OP/c1(3-5-7-21-31-38-33-34-23-13-9-14-24-34)2-4-6-8-22-32-39(35-25-15-10-16-26-35,36-27-17-11-18-28-36)37-29-19-12-20-30-37/h9-20,23-30H,1-8,21-22,31-33H2/q+1.
What are the key properties of triphenyl(12-phenylmethoxydodecyl)phosphanium?
triphenyl(12-phenylmethoxydodecyl)phosphanium has a molecular weight of 537.75 g/mol, XLogP of 9.10, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(12-phenylmethoxydodecyl)phosphanium is sourced from PubChem (CID 11061139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).