CID 54557103

C21H19Si — CID 54557103

IUPAC—
SMILESCC([Si])C(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C21H19Si/c1-14(22)21(19-12-10-15-6-2-4-8-17(15)19)20-13-11-16-7-3-5-9-18(16)20/h2-14,19-21H,1H3
InChIKeySIVGQYQFGRNLIR-UHFFFAOYSA-N
MW299.47 g/mol
LogP5.20
Rot. Bonds3

About CID 54557103

CID 54557103 (PubChem CID 54557103) has the molecular formula C21H19Si and a molecular weight of 299.47 g/mol.

Molecular Properties

Compound NameCID 54557103
PubChem CID54557103
Molecular FormulaC21H19Si
Molecular Weight299.47 g/mol
Exact Mass299.13
IUPAC Name—
SMILESCC([Si])C(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C21H19Si/c1-14(22)21(19-12-10-15-6-2-4-8-17(15)19)20-13-11-16-7-3-5-9-18(16)20/h2-14,19-21H,1H3
InChIKeySIVGQYQFGRNLIR-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.47
LogP ≤ 55.20
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 54557103?
The IUPAC name of CID 54557103 (CID 54557103) is not available.
What is the SMILES notation for CID 54557103?
The canonical SMILES for CID 54557103 is CC([Si])C(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of CID 54557103?
The InChIKey is SIVGQYQFGRNLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Si/c1-14(22)21(19-12-10-15-6-2-4-8-17(15)19)20-13-11-16-7-3-5-9-18(16)20/h2-14,19-21H,1H3.
What are the key properties of CID 54557103?
CID 54557103 has a molecular weight of 299.47 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54557103 is sourced from PubChem (CID 54557103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).