tris(2-bromophenyl)-fluorosilane

C36H24Br6F2Si2 — CID 139169945

IUPACtris(2-bromophenyl)-fluorosilane
SMILESF[Si](c1ccccc1Br)(c1ccccc1Br)c1ccccc1Br.F[Si](c1ccccc1Br)(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/2C18H12Br3FSi/c2*19-13-7-1-4-10-16(13)23(22,17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h2*1-12H
InChIKeyNVVQDMMLAPAPHF-UHFFFAOYSA-N
MW1030.18 g/mol
LogP9.82
Rot. Bonds6

About tris(2-bromophenyl)-fluorosilane

tris(2-bromophenyl)-fluorosilane (PubChem CID 139169945) has the molecular formula C36H24Br6F2Si2 and a molecular weight of 1030.18 g/mol. Its IUPAC name is tris(2-bromophenyl)-fluorosilane.

Molecular Properties

Compound Nametris(2-bromophenyl)-fluorosilane
PubChem CID139169945
Molecular FormulaC36H24Br6F2Si2
Molecular Weight1030.18 g/mol
Exact Mass1023.65
IUPAC Nametris(2-bromophenyl)-fluorosilane
SMILESF[Si](c1ccccc1Br)(c1ccccc1Br)c1ccccc1Br.F[Si](c1ccccc1Br)(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/2C18H12Br3FSi/c2*19-13-7-1-4-10-16(13)23(22,17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h2*1-12H
InChIKeyNVVQDMMLAPAPHF-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.18
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tris(2-bromophenyl)-fluorosilane
CID 132502813
fluoro-tris(2-iodophenyl)silane
CID 132502818
tetrakis(2-bromophenolate);hafnium(4+)
CID 102051879
(2-bromophenyl)-ethoxy-dimethylsilane
CID 154202288
sodium 2-bromophenolate
CID 20610457
1-bromo-2-fluorobenzene;ethane
CID 91109851
1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 53349981
1-bromo-2-(3-fluorocyclobutyl)benzene
CID 115036967
4-bromo-7-(2-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
CID 151920251
2-bromoaniline
CID 162048621
bromo-[2-[bromo(dimethyl)silyl]phenyl]-dimethylsilane
CID 15108455
6-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-thiol
CID 71309862

Frequently Asked Questions

What is the IUPAC name of tris(2-bromophenyl)-fluorosilane?
The IUPAC name of tris(2-bromophenyl)-fluorosilane (CID 139169945) is tris(2-bromophenyl)-fluorosilane.
What is the SMILES notation for tris(2-bromophenyl)-fluorosilane?
The canonical SMILES for tris(2-bromophenyl)-fluorosilane is F[Si](c1ccccc1Br)(c1ccccc1Br)c1ccccc1Br.F[Si](c1ccccc1Br)(c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of tris(2-bromophenyl)-fluorosilane?
The InChIKey is NVVQDMMLAPAPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12Br3FSi/c2*19-13-7-1-4-10-16(13)23(22,17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h2*1-12H.
What are the key properties of tris(2-bromophenyl)-fluorosilane?
tris(2-bromophenyl)-fluorosilane has a molecular weight of 1030.18 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-bromophenyl)-fluorosilane is sourced from PubChem (CID 139169945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).