triphenyl(6-phenylmethoxyhexyl)phosphanium bromide

C31H34BrOP — CID 134481593

IUPACtriphenyl(6-phenylmethoxyhexyl)phosphanium bromide
SMILES[Br-].c1ccc(COCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34OP.BrH/c1(15-25-32-27-28-17-7-3-8-18-28)2-16-26-33(29-19-9-4-10-20-29,30-21-11-5-12-22-30)31-23-13-6-14-24-31;/h3-14,17-24H,1-2,15-16,25-27H2;1H/q+1;/p-1
InChIKeyONFUCGHBYNTIRL-UHFFFAOYSA-M
MW533.49 g/mol
LogP3.76
Rot. Bonds12

About triphenyl(6-phenylmethoxyhexyl)phosphanium bromide

triphenyl(6-phenylmethoxyhexyl)phosphanium bromide (PubChem CID 134481593) has the molecular formula C31H34BrOP and a molecular weight of 533.49 g/mol. Its IUPAC name is triphenyl(6-phenylmethoxyhexyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(6-phenylmethoxyhexyl)phosphanium bromide
PubChem CID134481593
Molecular FormulaC31H34BrOP
Molecular Weight533.49 g/mol
Exact Mass532.15
IUPAC Nametriphenyl(6-phenylmethoxyhexyl)phosphanium bromide
SMILES[Br-].c1ccc(COCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34OP.BrH/c1(15-25-32-27-28-17-7-3-8-18-28)2-16-26-33(29-19-9-4-10-20-29,30-21-11-5-12-22-30)31-23-13-6-14-24-31;/h3-14,17-24H,1-2,15-16,25-27H2;1H/q+1;/p-1
InChIKeyONFUCGHBYNTIRL-UHFFFAOYSA-M
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.49
LogP ≤ 53.76
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

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CID 11061139
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
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triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
triphenyl(phenylmethoxymethyl)phosphanium bromide
CID 87779262
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
15-bromopentadecoxymethylbenzene
CID 11338468
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
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CID 23583359
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021

Frequently Asked Questions

What is the IUPAC name of triphenyl(6-phenylmethoxyhexyl)phosphanium bromide?
The IUPAC name of triphenyl(6-phenylmethoxyhexyl)phosphanium bromide (CID 134481593) is triphenyl(6-phenylmethoxyhexyl)phosphanium bromide.
What is the SMILES notation for triphenyl(6-phenylmethoxyhexyl)phosphanium bromide?
The canonical SMILES for triphenyl(6-phenylmethoxyhexyl)phosphanium bromide is [Br-].c1ccc(COCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(6-phenylmethoxyhexyl)phosphanium bromide?
The InChIKey is ONFUCGHBYNTIRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H34OP.BrH/c1(15-25-32-27-28-17-7-3-8-18-28)2-16-26-33(29-19-9-4-10-20-29,30-21-11-5-12-22-30)31-23-13-6-14-24-31;/h3-14,17-24H,1-2,15-16,25-27H2;1H/q+1;/p-1.
What are the key properties of triphenyl(6-phenylmethoxyhexyl)phosphanium bromide?
triphenyl(6-phenylmethoxyhexyl)phosphanium bromide has a molecular weight of 533.49 g/mol, XLogP of 3.76, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(6-phenylmethoxyhexyl)phosphanium bromide is sourced from PubChem (CID 134481593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).