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

C28H23NPS+ — CID 10896565

IUPACtriphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium
SMILESc1ccc([P+](Cc2ccc(-c3cccs3)nc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23NPS/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/q+1
InChIKeyNSGREXBRSWIODX-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.30
Rot. Bonds6

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

triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium (PubChem CID 10896565) has the molecular formula C28H23NPS+ and a molecular weight of 436.54 g/mol. Its IUPAC name is triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium
PubChem CID10896565
Molecular FormulaC28H23NPS+
Molecular Weight436.54 g/mol
Exact Mass436.13
IUPAC Nametriphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium
SMILESc1ccc([P+](Cc2ccc(-c3cccs3)nc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23NPS/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/q+1
InChIKeyNSGREXBRSWIODX-UHFFFAOYSA-N
XLogP6.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium?
The IUPAC name of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium (CID 10896565) is triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium.
What is the SMILES notation for triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium?
The canonical SMILES for triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium is c1ccc([P+](Cc2ccc(-c3cccs3)nc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium?
The InChIKey is NSGREXBRSWIODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NPS/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/q+1.
What are the key properties of triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium?
triphenyl-[(6-thiophen-2-yl-3-pyridinyl)methyl]phosphanium has a molecular weight of 436.54 g/mol, XLogP of 6.30, 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 is sourced from PubChem (CID 10896565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).