[benzyl(triphenyl)-λ5-phosphanyl] perchlorate

C25H22ClO4P — CID 12015103

IUPAC[benzyl(triphenyl)-λ5-phosphanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22ClO4P/c27-26(28,29)30-31(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22/h1-20H,21H2
InChIKeyXELGEXHAOMTCBR-UHFFFAOYSA-N
MW452.87 g/mol
LogP1.55
Rot. Bonds7

About [benzyl(triphenyl)-λ5-phosphanyl] perchlorate

[benzyl(triphenyl)-λ5-phosphanyl] perchlorate (PubChem CID 12015103) has the molecular formula C25H22ClO4P and a molecular weight of 452.87 g/mol. Its IUPAC name is [benzyl(triphenyl)-λ5-phosphanyl] perchlorate.

Molecular Properties

Compound Name[benzyl(triphenyl)-λ5-phosphanyl] perchlorate
PubChem CID12015103
Molecular FormulaC25H22ClO4P
Molecular Weight452.87 g/mol
Exact Mass452.09
IUPAC Name[benzyl(triphenyl)-λ5-phosphanyl] perchlorate
SMILES[O-][Cl+3]([O-])([O-])OP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22ClO4P/c27-26(28,29)30-31(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22/h1-20H,21H2
InChIKeyXELGEXHAOMTCBR-UHFFFAOYSA-N
XLogP1.55
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [benzyl(triphenyl)-λ5-phosphanyl] perchlorate?
The IUPAC name of [benzyl(triphenyl)-λ5-phosphanyl] perchlorate (CID 12015103) is [benzyl(triphenyl)-λ5-phosphanyl] perchlorate.
What is the SMILES notation for [benzyl(triphenyl)-λ5-phosphanyl] perchlorate?
The canonical SMILES for [benzyl(triphenyl)-λ5-phosphanyl] perchlorate is [O-][Cl+3]([O-])([O-])OP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [benzyl(triphenyl)-λ5-phosphanyl] perchlorate?
The InChIKey is XELGEXHAOMTCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClO4P/c27-26(28,29)30-31(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22/h1-20H,21H2.
What are the key properties of [benzyl(triphenyl)-λ5-phosphanyl] perchlorate?
[benzyl(triphenyl)-λ5-phosphanyl] perchlorate has a molecular weight of 452.87 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(triphenyl)-λ5-phosphanyl] perchlorate is sourced from PubChem (CID 12015103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).