CID 23416022

C24H21PSb — CID 23416022

IUPAC—
SMILESc1ccc(Pc2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/C12H11P.2C6H5.Sb/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;/h1-10,13H;2*1-5H;
InChIKeyXQYUPKTUXFUXAD-UHFFFAOYSA-N
MW462.17 g/mol
LogP3.66
Rot. Bonds4

About CID 23416022

CID 23416022 (PubChem CID 23416022) has the molecular formula C24H21PSb and a molecular weight of 462.17 g/mol.

Molecular Properties

Compound NameCID 23416022
PubChem CID23416022
Molecular FormulaC24H21PSb
Molecular Weight462.17 g/mol
Exact Mass461.04
IUPAC Name—
SMILESc1ccc(Pc2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1
InChIInChI=1S/C12H11P.2C6H5.Sb/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;/h1-10,13H;2*1-5H;
InChIKeyXQYUPKTUXFUXAD-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23416022?
The IUPAC name of CID 23416022 (CID 23416022) is not available.
What is the SMILES notation for CID 23416022?
The canonical SMILES for CID 23416022 is c1ccc(Pc2ccccc2)cc1.c1ccc([Sb]c2ccccc2)cc1.
What is the InChIKey of CID 23416022?
The InChIKey is XQYUPKTUXFUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.2C6H5.Sb/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;/h1-10,13H;2*1-5H;.
What are the key properties of CID 23416022?
CID 23416022 has a molecular weight of 462.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23416022 is sourced from PubChem (CID 23416022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).