CID 122378587

C24H18Cl2PSb-2 — CID 122378587

IUPAC—
SMILES[Cl-].[Cl-].[Sb].[c]1ccc2c3c(ccc(P(c4ccccc4)c4ccccc4)c13)CC2
InChIInChI=1S/C24H18P.2ClH.Sb/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)23-17-16-19-15-14-18-8-7-13-22(23)24(18)19;;;/h1-12,16-17H,14-15H2;2*1H;/p-2
InChIKeyXVLSCDUBXASCCM-UHFFFAOYSA-L
MW530.05 g/mol
LogP-1.88
Rot. Bonds3

About CID 122378587

CID 122378587 (PubChem CID 122378587) has the molecular formula C24H18Cl2PSb-2 and a molecular weight of 530.05 g/mol.

Molecular Properties

Compound NameCID 122378587
PubChem CID122378587
Molecular FormulaC24H18Cl2PSb-2
Molecular Weight530.05 g/mol
Exact Mass527.96
IUPAC Name—
SMILES[Cl-].[Cl-].[Sb].[c]1ccc2c3c(ccc(P(c4ccccc4)c4ccccc4)c13)CC2
InChIInChI=1S/C24H18P.2ClH.Sb/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)23-17-16-19-15-14-18-8-7-13-22(23)24(18)19;;;/h1-12,16-17H,14-15H2;2*1H;/p-2
InChIKeyXVLSCDUBXASCCM-UHFFFAOYSA-L
XLogP-1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.05
LogP ≤ 5-1.88
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 122378587?
The IUPAC name of CID 122378587 (CID 122378587) is not available.
What is the SMILES notation for CID 122378587?
The canonical SMILES for CID 122378587 is [Cl-].[Cl-].[Sb].[c]1ccc2c3c(ccc(P(c4ccccc4)c4ccccc4)c13)CC2.
What is the InChIKey of CID 122378587?
The InChIKey is XVLSCDUBXASCCM-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H18P.2ClH.Sb/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)23-17-16-19-15-14-18-8-7-13-22(23)24(18)19;;;/h1-12,16-17H,14-15H2;2*1H;/p-2.
What are the key properties of CID 122378587?
CID 122378587 has a molecular weight of 530.05 g/mol, XLogP of -1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122378587 is sourced from PubChem (CID 122378587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).