(3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane

C18H24Br2Si3 — CID 141084785

IUPAC(3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane
SMILESC[Si](C)(C)[Si]1([Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C18H24Br2Si3/c1-21(2,3)23(22(4,5)6)17-11-13(19)7-9-15(17)16-10-8-14(20)12-18(16)23/h7-12H,1-6H3
InChIKeyDKIMODHLDRJGRI-UHFFFAOYSA-N
MW484.46 g/mol
LogP5.59
Rot. Bonds2

About (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane

(3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane (PubChem CID 141084785) has the molecular formula C18H24Br2Si3 and a molecular weight of 484.46 g/mol. Its IUPAC name is (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane
PubChem CID141084785
Molecular FormulaC18H24Br2Si3
Molecular Weight484.46 g/mol
Exact Mass481.96
IUPAC Name(3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane
SMILESC[Si](C)(C)[Si]1([Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C18H24Br2Si3/c1-21(2,3)23(22(4,5)6)17-11-13(19)7-9-15(17)16-10-8-14(20)12-18(16)23/h7-12H,1-6H3
InChIKeyDKIMODHLDRJGRI-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.46
LogP ≤ 55.59
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

5-Methyl-5-(trimethylsilyl)-5H-dibenzo[b,d]silole
CID 12745873
benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane
CID 164678741
1,9-Dibromo-5,5-dimethylbenzo[b][1]benzosilole
CID 101791977
(1S)-1-[3-(4-bromophenyl)propyl]-2,3-dihydro-1H-1-benzosilole
CID 177930187
[(E)-2-(4-bromophenyl)ethenyl]-[[(E)-2-(4-bromophenyl)ethenyl]-dimethylsilyl]oxy-dimethylsilane
CID 135011164
5-(3-Bromophenyl)-5-fluorobenzo[b][1]benzosilole
CID 285875
(4'-Bromo-2,3,2'-trifluorobiphenyl-4-yl)trimethylsilane
CID 11462508
[1-(4-Bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-dimethylsilyl]oxy-dimethylsilane
CID 19694319
[1-(4-Bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane
CID 70057881
1-[4-[2-(4-Bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane
CID 139684349
9,9-Bis(trimethylsilyl)-9-silafluorene
CID 13032056
[4-[(E)-2-(4-bromophenyl)ethenyl]phenyl]-trimethylsilane
CID 168151373

Frequently Asked Questions

What is the IUPAC name of (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane?
The IUPAC name of (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane (CID 141084785) is (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane.
What is the SMILES notation for (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane?
The canonical SMILES for (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane is C[Si](C)(C)[Si]1([Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane?
The InChIKey is DKIMODHLDRJGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2Si3/c1-21(2,3)23(22(4,5)6)17-11-13(19)7-9-15(17)16-10-8-14(20)12-18(16)23/h7-12H,1-6H3.
What are the key properties of (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane?
(3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane has a molecular weight of 484.46 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dibromo-5-trimethylsilylbenzo[b][1]benzosilol-5-yl)-trimethylsilane is sourced from PubChem (CID 141084785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).