triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide

C28H23BrNPS — CID 10896564

IUPACtriphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide
SMILES[Br-].c1ccc([P+](Cc2ccc(-c3cccs3)nc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23NPS.BrH/c1-4-11-24(12-5-1)30(25-13-6-2-7-14-25,26-15-8-3-9-16-26)22-23-18-19-27(29-21-23)28-17-10-20-31-28;/h1-21H,22H2;1H/q+1;/p-1
InChIKeyJMZPMUZKOHYWJC-UHFFFAOYSA-M
MW516.44 g/mol
LogP3.31
Rot. Bonds6

About triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide

triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide (PubChem CID 10896564) has the molecular formula C28H23BrNPS and a molecular weight of 516.44 g/mol. Its IUPAC name is triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide
PubChem CID10896564
Molecular FormulaC28H23BrNPS
Molecular Weight516.44 g/mol
Exact Mass515.05
IUPAC Nametriphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide
SMILES[Br-].c1ccc([P+](Cc2ccc(-c3cccs3)nc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23NPS.BrH/c1-4-11-24(12-5-1)30(25-13-6-2-7-14-25,26-15-8-3-9-16-26)22-23-18-19-27(29-21-23)28-17-10-20-31-28;/h1-21H,22H2;1H/q+1;/p-1
InChIKeyJMZPMUZKOHYWJC-UHFFFAOYSA-M
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium
CID 10896565
5-(2-methylbutyl)-2-thiophen-2-ylpyridine
CID 142831463
(6-methyl-3-pyridinyl)methyl-triphenylphosphanium
CID 11732193
ethane;5-methyl-2-thiophen-2-ylpyridine
CID 143559622
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
5-tert-butyl-2-thiophen-2-ylpyridine
CID 59737214
ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate
CID 101345384
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
(6-thiophen-2-yl-3-pyridinyl) carbamate
CID 139580211
triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
CID 86741343
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide?
The IUPAC name of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide (CID 10896564) is triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide?
The canonical SMILES for triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide is [Br-].c1ccc([P+](Cc2ccc(-c3cccs3)nc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide?
The InChIKey is JMZPMUZKOHYWJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H23NPS.BrH/c1-4-11-24(12-5-1)30(25-13-6-2-7-14-25,26-15-8-3-9-16-26)22-23-18-19-27(29-21-23)28-17-10-20-31-28;/h1-21H,22H2;1H/q+1;/p-1.
What are the key properties of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide?
triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide has a molecular weight of 516.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium bromide is sourced from PubChem (CID 10896564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).