[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride

C31H26ClP — CID 160830813

IUPAC[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride
SMILES[Cl-].[PH3+]C(c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C31H25P.ClH/c32-31(26-18-9-3-10-19-26,27-20-11-4-12-21-27)29-23-13-22-28(24-14-5-1-6-15-24)30(29)25-16-7-2-8-17-25;/h1-23H,32H2;1H
InChIKeyMHCPZBHATDLBML-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.92
Rot. Bonds5

About [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride

[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride (PubChem CID 160830813) has the molecular formula C31H26ClP and a molecular weight of 464.98 g/mol. Its IUPAC name is [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride.

Molecular Properties

Compound Name[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride
PubChem CID160830813
Molecular FormulaC31H26ClP
Molecular Weight464.98 g/mol
Exact Mass464.15
IUPAC Name[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride
SMILES[Cl-].[PH3+]C(c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C31H25P.ClH/c32-31(26-18-9-3-10-19-26,27-20-11-4-12-21-27)29-23-13-22-28(24-14-5-1-6-15-24)30(29)25-16-7-2-8-17-25;/h1-23H,32H2;1H
InChIKeyMHCPZBHATDLBML-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride?
The IUPAC name of [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride (CID 160830813) is [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride.
What is the SMILES notation for [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride?
The canonical SMILES for [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride is [Cl-].[PH3+]C(c1ccccc1)(c1ccccc1)c1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride?
The InChIKey is MHCPZBHATDLBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25P.ClH/c32-31(26-18-9-3-10-19-26,27-20-11-4-12-21-27)29-23-13-22-28(24-14-5-1-6-15-24)30(29)25-16-7-2-8-17-25;/h1-23H,32H2;1H.
What are the key properties of [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride?
[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride has a molecular weight of 464.98 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride is sourced from PubChem (CID 160830813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).