triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium

C33H30OP+ — CID 20764205

IUPACtriphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium
SMILESc1ccc(CCOc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30OP/c1-5-15-28(16-6-1)25-26-34-33-24-14-13-17-29(33)27-35(30-18-7-2-8-19-30,31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-27H2/q+1
InChIKeyDPDMDIXFLKWQQH-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.80
Rot. Bonds9

About triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium

triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium (PubChem CID 20764205) has the molecular formula C33H30OP+ and a molecular weight of 473.58 g/mol. Its IUPAC name is triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium
PubChem CID20764205
Molecular FormulaC33H30OP+
Molecular Weight473.58 g/mol
Exact Mass473.20
IUPAC Nametriphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium
SMILESc1ccc(CCOc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30OP/c1-5-15-28(16-6-1)25-26-34-33-24-14-13-17-29(33)27-35(30-18-7-2-8-19-30,31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-27H2/q+1
InChIKeyDPDMDIXFLKWQQH-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-phenylethoxy)phenyl]methyl]phosphanium?
The IUPAC name of triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium (CID 20764205) is triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium?
The canonical SMILES for triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium is c1ccc(CCOc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium?
The InChIKey is DPDMDIXFLKWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30OP/c1-5-15-28(16-6-1)25-26-34-33-24-14-13-17-29(33)27-35(30-18-7-2-8-19-30,31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-27H2/q+1.
What are the key properties of triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium?
triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium has a molecular weight of 473.58 g/mol, XLogP of 6.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium is sourced from PubChem (CID 20764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).