bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane

C22H22Br2Si — CID 59832509

IUPACbis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C22H22Br2Si/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3
InChIKeyRZJHSNWOXNTSRU-UHFFFAOYSA-N
MW474.31 g/mol
LogP7.70
Rot. Bonds2

About bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane

bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 59832509) has the molecular formula C22H22Br2Si and a molecular weight of 474.31 g/mol. Its IUPAC name is bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane
PubChem CID59832509
Molecular FormulaC22H22Br2Si
Molecular Weight474.31 g/mol
Exact Mass471.99
IUPAC Namebis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C22H22Br2Si/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3
InChIKeyRZJHSNWOXNTSRU-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.31
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dibromo-6,6'-dimethyl-1,1'-biphenyl
CID 14113190
[4-(4-Bromo-2,5-dimethylphenyl)phenyl]-trimethylsilane
CID 86085130
1,9-Dibromo-5,5-dimethylbenzo[b][1]benzosilole
CID 101791977
2,2 inverted exclamation mark-Dibromo-6-methyl-1,1 inverted exclamation mark-biphenyl
CID 67154260
((8-Bromonaphthalen-1-yl)ethynyl)triisopropylsilane
CID 155629900
(4-Bromo-6-fluoro-2-methyl-1H-inden-1-yl) (9H-fluoren-9-yl)dimethylsilane
CID 57723641
bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
CID 58692112
(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
CID 67039251
(4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
CID 67039256
1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene
CID 67039264
4-bromo-1-[(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)methyl]-6-fluoro-2-methyl-1H-indene
CID 67039268
1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene
CID 67039322

Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane (CID 59832509) is bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.
What is the InChIKey of bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is RZJHSNWOXNTSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Br2Si/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3.
What are the key properties of bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane?
bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 474.31 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 59832509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).