2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole

C20H27BrN2Si — CID 135007639

IUPAC2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)c1ccc2ccccc2c1
InChIInChI=1S/C20H27BrN2Si/c1-19(2,3)22-13-14-23(20(4,5)6)24(22,21)18-12-11-16-9-7-8-10-17(16)15-18/h7-15H,1-6H3
InChIKeyHFOJKMOJOPQEAI-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.07
Rot. Bonds1

About 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole

2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole (PubChem CID 135007639) has the molecular formula C20H27BrN2Si and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole.

Molecular Properties

Compound Name2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole
PubChem CID135007639
Molecular FormulaC20H27BrN2Si
Molecular Weight403.44 g/mol
Exact Mass402.11
IUPAC Name2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)c1ccc2ccccc2c1
InChIInChI=1S/C20H27BrN2Si/c1-19(2,3)22-13-14-23(20(4,5)6)24(22,21)18-12-11-16-9-7-8-10-17(16)15-18/h7-15H,1-6H3
InChIKeyHFOJKMOJOPQEAI-UHFFFAOYSA-N
XLogP5.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.07
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-tert-butylphenyl)-1,3,2-diazasilole
CID 135053494
N-methyldihydrosilaazaanthracene
CID 129793349
(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-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
CID 135007640
2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole
CID 135007794
1,4-Ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 135008525
N-[dimethyl(naphthalen-1-yl)silyl]-N-methylmethanamine
CID 23530316
CID 23530329
CID 23530329
Naphthalene;tetraethylazanium;bromide
CID 69571014
1-Naphthalen-1-yltellanyl-2,3-dihydropyrrole
CID 88617227
bis(N,N-dimethylethanamine);naphthalene
CID 91281555
CID 119079833
CID 119079833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole?
The IUPAC name of 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole (CID 135007639) is 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole.
What is the SMILES notation for 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole?
The canonical SMILES for 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole is CC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole?
The InChIKey is HFOJKMOJOPQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2Si/c1-19(2,3)22-13-14-23(20(4,5)6)24(22,21)18-12-11-16-9-7-8-10-17(16)15-18/h7-15H,1-6H3.
What are the key properties of 2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole?
2-bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole has a molecular weight of 403.44 g/mol, XLogP of 5.07, 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-naphthalen-2-yl-1,3,2-diazasilole is sourced from PubChem (CID 135007639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).