CID 162402989

C21H18NSi — CID 162402989

IUPAC—
SMILESC1=CN([Si](c2ccccc2)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C21H18NSi/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-10,12-17H,11H2
InChIKeyZSMDVZWMUNOTKB-UHFFFAOYSA-N
MW312.47 g/mol
LogP3.37
Rot. Bonds3

About CID 162402989

CID 162402989 (PubChem CID 162402989) has the molecular formula C21H18NSi and a molecular weight of 312.47 g/mol.

Molecular Properties

Compound NameCID 162402989
PubChem CID162402989
Molecular FormulaC21H18NSi
Molecular Weight312.47 g/mol
Exact Mass312.12
IUPAC Name—
SMILESC1=CN([Si](c2ccccc2)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C21H18NSi/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-10,12-17H,11H2
InChIKeyZSMDVZWMUNOTKB-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 162402989?
The IUPAC name of CID 162402989 (CID 162402989) is not available.
What is the SMILES notation for CID 162402989?
The canonical SMILES for CID 162402989 is C1=CN([Si](c2ccccc2)c2ccccc2)c2ccccc2C1.
What is the InChIKey of CID 162402989?
The InChIKey is ZSMDVZWMUNOTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NSi/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-10,12-17H,11H2.
What are the key properties of CID 162402989?
CID 162402989 has a molecular weight of 312.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162402989 is sourced from PubChem (CID 162402989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).