CID 6331752

C22H23BNOSi — CID 6331752

IUPAC—
SMILES[B].c1ccc([Si](OCCN2CC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NOSi.B/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-19-18-23-16-17-23;/h1-15H,16-19H2;
InChIKeyRYBIKVCTGCGVDS-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.60
Rot. Bonds7

About CID 6331752

CID 6331752 (PubChem CID 6331752) has the molecular formula C22H23BNOSi and a molecular weight of 356.33 g/mol.

Molecular Properties

Compound NameCID 6331752
PubChem CID6331752
Molecular FormulaC22H23BNOSi
Molecular Weight356.33 g/mol
Exact Mass356.16
IUPAC Name—
SMILES[B].c1ccc([Si](OCCN2CC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NOSi.B/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-19-18-23-16-17-23;/h1-15H,16-19H2;
InChIKeyRYBIKVCTGCGVDS-UHFFFAOYSA-N
XLogP1.60
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6331752?
The IUPAC name of CID 6331752 (CID 6331752) is not available.
What is the SMILES notation for CID 6331752?
The canonical SMILES for CID 6331752 is [B].c1ccc([Si](OCCN2CC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6331752?
The InChIKey is RYBIKVCTGCGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOSi.B/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-19-18-23-16-17-23;/h1-15H,16-19H2;.
What are the key properties of CID 6331752?
CID 6331752 has a molecular weight of 356.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6331752 is sourced from PubChem (CID 6331752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).