triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium

C32H24OPS+ — CID 51032836

IUPACtriphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium
SMILESc1ccc(-c2oc(-c3ccsc3)cc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H24OPS/c1-5-13-25(14-6-1)32-31(23-30(33-32)26-21-22-35-24-26)34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/q+1
InChIKeyUGTVXMHMIHEBFO-UHFFFAOYSA-N
MW487.58 g/mol
LogP7.29
Rot. Bonds6

About triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium

triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium (PubChem CID 51032836) has the molecular formula C32H24OPS+ and a molecular weight of 487.58 g/mol. Its IUPAC name is triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium.

Molecular Properties

Compound Nametriphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium
PubChem CID51032836
Molecular FormulaC32H24OPS+
Molecular Weight487.58 g/mol
Exact Mass487.13
IUPAC Nametriphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium
SMILESc1ccc(-c2oc(-c3ccsc3)cc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H24OPS/c1-5-13-25(14-6-1)32-31(23-30(33-32)26-21-22-35-24-26)34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/q+1
InChIKeyUGTVXMHMIHEBFO-UHFFFAOYSA-N
XLogP7.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 57.29
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-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium?
The IUPAC name of triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium (CID 51032836) is triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium.
What is the SMILES notation for triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium?
The canonical SMILES for triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium is c1ccc(-c2oc(-c3ccsc3)cc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium?
The InChIKey is UGTVXMHMIHEBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24OPS/c1-5-13-25(14-6-1)32-31(23-30(33-32)26-21-22-35-24-26)34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/q+1.
What are the key properties of triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium?
triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium has a molecular weight of 487.58 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(2-phenyl-5-thiophen-3-ylfuran-3-yl)phosphanium is sourced from PubChem (CID 51032836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).