CID 13086817

C20H20PSi — CID 13086817

IUPAC—
SMILESC[Si](CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20PSi/c1-22(20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3
InChIKeyRAGJAZWXHDJMKU-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.69
Rot. Bonds5

About CID 13086817

CID 13086817 (PubChem CID 13086817) has the molecular formula C20H20PSi and a molecular weight of 319.44 g/mol.

Molecular Properties

Compound NameCID 13086817
PubChem CID13086817
Molecular FormulaC20H20PSi
Molecular Weight319.44 g/mol
Exact Mass319.11
IUPAC Name—
SMILESC[Si](CP(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20PSi/c1-22(20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3
InChIKeyRAGJAZWXHDJMKU-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.69
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 13086817?
The IUPAC name of CID 13086817 (CID 13086817) is not available.
What is the SMILES notation for CID 13086817?
The canonical SMILES for CID 13086817 is C[Si](CP(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 13086817?
The InChIKey is RAGJAZWXHDJMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20PSi/c1-22(20-15-9-4-10-16-20)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3.
What are the key properties of CID 13086817?
CID 13086817 has a molecular weight of 319.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13086817 is sourced from PubChem (CID 13086817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).