2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole

C20H33BrN2Si — CID 135053494

IUPAC2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole
SMILESCC(C)(C)c1ccc([Si]2(Br)N(C(C)(C)C)C=CN2C(C)(C)C)cc1
InChIInChI=1S/C20H33BrN2Si/c1-18(2,3)16-10-12-17(13-11-16)24(21)22(19(4,5)6)14-15-23(24)20(7,8)9/h10-15H,1-9H3
InChIKeyJBEFWPBDZFFYNF-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.21
Rot. Bonds1

About 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole

2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole (PubChem CID 135053494) has the molecular formula C20H33BrN2Si and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole.

Molecular Properties

Compound Name2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole
PubChem CID135053494
Molecular FormulaC20H33BrN2Si
Molecular Weight409.49 g/mol
Exact Mass408.16
IUPAC Name2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole
SMILESCC(C)(C)c1ccc([Si]2(Br)N(C(C)(C)C)C=CN2C(C)(C)C)cc1
InChIInChI=1S/C20H33BrN2Si/c1-18(2,3)16-10-12-17(13-11-16)24(21)22(19(4,5)6)14-15-23(24)20(7,8)9/h10-15H,1-9H3
InChIKeyJBEFWPBDZFFYNF-UHFFFAOYSA-N
XLogP5.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.21
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'}

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Related Compounds

2-Bromo-1,3-ditert-butyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-diazasilole
CID 135008833
2-Bromo-1,3-ditert-butyl-2-[1,3-ditert-butyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-diazasilol-2-yl]-1,3,2-diazasilole
CID 135053493
2-Benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
CID 11421020
2-Bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole
CID 101177867
(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 134901450
2-Bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole
CID 135007639
1,4-Ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 135008525
2-Benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole
CID 135053508
2-Bromo-1,3-ditert-butyl-2-[1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilol-2-yl]-1,3,2-diazasilole
CID 135053722
tert-butyl-[[2-(2,2-dimethylpropyl)-1H-inden-1-yl]-oxosilyl]-dimethylazanium
CID 21976991
tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butyliminotantalum;methanidylbenzene
CID 58814294
N-[bis(diethylamino)-(4-prop-1-en-2-ylphenyl)silyl]-N-ethylethanamine
CID 66742645

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole?
The IUPAC name of 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole (CID 135053494) is 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole.
What is the SMILES notation for 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole?
The canonical SMILES for 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole is CC(C)(C)c1ccc([Si]2(Br)N(C(C)(C)C)C=CN2C(C)(C)C)cc1.
What is the InChIKey of 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole?
The InChIKey is JBEFWPBDZFFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33BrN2Si/c1-18(2,3)16-10-12-17(13-11-16)24(21)22(19(4,5)6)14-15-23(24)20(7,8)9/h10-15H,1-9H3.
What are the key properties of 2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole?
2-bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole has a molecular weight of 409.49 g/mol, XLogP of 5.21, 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-(4-tert-butylphenyl)-1,3,2-diazasilole is sourced from PubChem (CID 135053494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).