2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole

C16H25BrN2Si — CID 101177867

IUPAC2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)c1ccccc1
InChIInChI=1S/C16H25BrN2Si/c1-15(2,3)18-12-13-19(16(4,5)6)20(18,17)14-10-8-7-9-11-14/h7-13H,1-6H3
InChIKeyBIGYFMUYSUYPAX-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.91
Rot. Bonds1

About 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole

2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole (PubChem CID 101177867) has the molecular formula C16H25BrN2Si and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole.

Molecular Properties

Compound Name2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole
PubChem CID101177867
Molecular FormulaC16H25BrN2Si
Molecular Weight353.38 g/mol
Exact Mass352.10
IUPAC Name2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)c1ccccc1
InChIInChI=1S/C16H25BrN2Si/c1-15(2,3)18-12-13-19(16(4,5)6)20(18,17)14-10-8-7-9-11-14/h7-13H,1-6H3
InChIKeyBIGYFMUYSUYPAX-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole?
The IUPAC name of 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole (CID 101177867) is 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole.
What is the SMILES notation for 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole?
The canonical SMILES for 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole is CC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)c1ccccc1.
What is the InChIKey of 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole?
The InChIKey is BIGYFMUYSUYPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2Si/c1-15(2,3)18-12-13-19(16(4,5)6)20(18,17)14-10-8-7-9-11-14/h7-13H,1-6H3.
What are the key properties of 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole?
2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole has a molecular weight of 353.38 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole is sourced from PubChem (CID 101177867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).