CID 139251088

C12H10PtSe2 — CID 139251088

IUPAC—
SMILES[Pt].[Se]c1ccccc1.[Se]c1ccccc1
InChIInChI=1S/2C6H5Se.Pt/c2*7-6-4-2-1-3-5-6;/h2*1-5H;
InChIKeyJAHWQIBJKPMLRB-UHFFFAOYSA-N
MW507.21 g/mol
LogP0.96
Rot. Bonds

About CID 139251088

CID 139251088 (PubChem CID 139251088) has the molecular formula C12H10PtSe2 and a molecular weight of 507.21 g/mol.

Molecular Properties

Compound NameCID 139251088
PubChem CID139251088
Molecular FormulaC12H10PtSe2
Molecular Weight507.21 g/mol
Exact Mass508.88
IUPAC Name—
SMILES[Pt].[Se]c1ccccc1.[Se]c1ccccc1
InChIInChI=1S/2C6H5Se.Pt/c2*7-6-4-2-1-3-5-6;/h2*1-5H;
InChIKeyJAHWQIBJKPMLRB-UHFFFAOYSA-N
XLogP0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139251088?
The IUPAC name of CID 139251088 (CID 139251088) is not available.
What is the SMILES notation for CID 139251088?
The canonical SMILES for CID 139251088 is [Pt].[Se]c1ccccc1.[Se]c1ccccc1.
What is the InChIKey of CID 139251088?
The InChIKey is JAHWQIBJKPMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5Se.Pt/c2*7-6-4-2-1-3-5-6;/h2*1-5H;.
What are the key properties of CID 139251088?
CID 139251088 has a molecular weight of 507.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139251088 is sourced from PubChem (CID 139251088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).