CID 169013251

C21H21Si — CID 169013251

IUPAC—
SMILESCc1cccc(CC[Si](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H21Si/c1-18-9-8-10-19(17-18)15-16-22(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-14,17H,15-16H2,1H3
InChIKeySIRAHMZVVFISAE-UHFFFAOYSA-N
MW301.49 g/mol
LogP3.85
Rot. Bonds5

About CID 169013251

CID 169013251 (PubChem CID 169013251) has the molecular formula C21H21Si and a molecular weight of 301.49 g/mol.

Molecular Properties

Compound NameCID 169013251
PubChem CID169013251
Molecular FormulaC21H21Si
Molecular Weight301.49 g/mol
Exact Mass301.14
IUPAC Name—
SMILESCc1cccc(CC[Si](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H21Si/c1-18-9-8-10-19(17-18)15-16-22(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-14,17H,15-16H2,1H3
InChIKeySIRAHMZVVFISAE-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 169013274
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Frequently Asked Questions

What is the IUPAC name of CID 169013251?
The IUPAC name of CID 169013251 (CID 169013251) is not available.
What is the SMILES notation for CID 169013251?
The canonical SMILES for CID 169013251 is Cc1cccc(CC[Si](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of CID 169013251?
The InChIKey is SIRAHMZVVFISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Si/c1-18-9-8-10-19(17-18)15-16-22(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-14,17H,15-16H2,1H3.
What are the key properties of CID 169013251?
CID 169013251 has a molecular weight of 301.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169013251 is sourced from PubChem (CID 169013251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).