tris(4-bromophenyl)silane

C18H13Br3Si — CID 3427866

IUPACtris(4-bromophenyl)silane
SMILESBrc1ccc([SiH](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H13Br3Si/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,22H
InChIKeyCDFKXBDSCSWZAZ-UHFFFAOYSA-N
MW497.10 g/mol
LogP4.22
Rot. Bonds3

About tris(4-bromophenyl)silane

tris(4-bromophenyl)silane (PubChem CID 3427866) has the molecular formula C18H13Br3Si and a molecular weight of 497.10 g/mol. Its IUPAC name is tris(4-bromophenyl)silane.

Molecular Properties

Compound Nametris(4-bromophenyl)silane
PubChem CID3427866
Molecular FormulaC18H13Br3Si
Molecular Weight497.10 g/mol
Exact Mass493.83
IUPAC Nametris(4-bromophenyl)silane
SMILESBrc1ccc([SiH](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H13Br3Si/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,22H
InChIKeyCDFKXBDSCSWZAZ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-bromophenyl)silane?
The IUPAC name of tris(4-bromophenyl)silane (CID 3427866) is tris(4-bromophenyl)silane.
What is the SMILES notation for tris(4-bromophenyl)silane?
The canonical SMILES for tris(4-bromophenyl)silane is Brc1ccc([SiH](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of tris(4-bromophenyl)silane?
The InChIKey is CDFKXBDSCSWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br3Si/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,22H.
What are the key properties of tris(4-bromophenyl)silane?
tris(4-bromophenyl)silane has a molecular weight of 497.10 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-bromophenyl)silane is sourced from PubChem (CID 3427866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).