2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole

C23H29BrN2Si — CID 135007794

IUPAC2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29BrN2Si/c1-22(2,3)25-15-16-26(23(4,5)6)27(25,24)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-16,21H,1-6H3
InChIKeyBTJJYFAAFKYVQZ-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.36
Rot. Bonds1

About 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole

2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole (PubChem CID 135007794) has the molecular formula C23H29BrN2Si and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole.

Molecular Properties

Compound Name2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole
PubChem CID135007794
Molecular FormulaC23H29BrN2Si
Molecular Weight441.49 g/mol
Exact Mass440.13
IUPAC Name2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29BrN2Si/c1-22(2,3)25-15-16-26(23(4,5)6)27(25,24)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-16,21H,1-6H3
InChIKeyBTJJYFAAFKYVQZ-UHFFFAOYSA-N
XLogP6.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.36
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

(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
2-bromo-1,3-ditert-butyl-2-[1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilol-2-yl]-1,3,2-diazasilole
CID 135007795
1,4-Ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 135008525
N-tert-butyl-N-[9H-fluoren-9-yl(dimethyl)silyl]-2-methylpropan-2-amine
CID 70151051
N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine
CID 89165196
3-(9H-fluoren-1-yl)-N,N-dimethylprop-1-en-1-amine
CID 151993027
CID 172737351
CID 172737351
CID 173198647
CID 173198647
CID 174376117
CID 174376117
N,N-dimethylmethanamine;9H-fluoren-1-yl(trimethyl)silane
CID 174432061
2-Methyl-9-phenyl-4a,9-dihydroindeno[2,1-c]pyridine
CID 4345061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole?
The IUPAC name of 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole (CID 135007794) is 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole.
What is the SMILES notation for 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole?
The canonical SMILES for 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole is CC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole?
The InChIKey is BTJJYFAAFKYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2Si/c1-22(2,3)25-15-16-26(23(4,5)6)27(25,24)21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-16,21H,1-6H3.
What are the key properties of 2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole?
2-bromo-1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilole has a molecular weight of 441.49 g/mol, XLogP of 6.36, 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-(9H-fluoren-9-yl)-1,3,2-diazasilole is sourced from PubChem (CID 135007794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).