tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide

C30H31BF3O3Si- — CID 139766252

IUPACtris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
SMILESCCO[Si](OCC)(OCC)c1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H31BF3O3Si/c1-4-35-38(36-5-2,37-6-3)30-21-13-26(14-22-30)31(23-7-15-27(32)16-8-23,24-9-17-28(33)18-10-24)25-11-19-29(34)20-12-25/h7-22H,4-6H2,1-3H3/q-1
InChIKeyXBVSFTUUHYDHDF-UHFFFAOYSA-N
MW535.47 g/mol
LogP3.74
Rot. Bonds11

About tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide

tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide (PubChem CID 139766252) has the molecular formula C30H31BF3O3Si- and a molecular weight of 535.47 g/mol. Its IUPAC name is tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide.

Molecular Properties

Compound Nametris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
PubChem CID139766252
Molecular FormulaC30H31BF3O3Si-
Molecular Weight535.47 g/mol
Exact Mass535.21
IUPAC Nametris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
SMILESCCO[Si](OCC)(OCC)c1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H31BF3O3Si/c1-4-35-38(36-5-2,37-6-3)30-21-13-26(14-22-30)31(23-7-15-27(32)16-8-23,24-9-17-28(33)18-10-24)25-11-19-29(34)20-12-25/h7-22H,4-6H2,1-3H3/q-1
InChIKeyXBVSFTUUHYDHDF-UHFFFAOYSA-N
XLogP3.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide
CID 139766295
(4-tert-butylphenyl)-triethoxysilane
CID 146004905
sodium;tetrakis(4-fluorophenyl)boranuide;hydrate
CID 44890704
ethane;triethoxy(phenyl)silane
CID 174836592
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
triethoxy-(4-fluoro-3-methoxyphenyl)silane
CID 146005006
triethoxy-(4-prop-2-enylphenyl)silane
CID 66685937
boric acid;triethoxy(phenyl)silane
CID 174800585
triethoxy-(4-fluoro-3,5-dimethylphenyl)silane
CID 146004982
didodecylazanium;tetrakis(4-fluorophenyl)boranuide
CID 139833691
triethoxy-[6-(4-triethoxysilylphenyl)-3-pyridinyl]silane
CID 102048093

Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide?
The IUPAC name of tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide (CID 139766252) is tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide.
What is the SMILES notation for tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide?
The canonical SMILES for tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide is CCO[Si](OCC)(OCC)c1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide?
The InChIKey is XBVSFTUUHYDHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31BF3O3Si/c1-4-35-38(36-5-2,37-6-3)30-21-13-26(14-22-30)31(23-7-15-27(32)16-8-23,24-9-17-28(33)18-10-24)25-11-19-29(34)20-12-25/h7-22H,4-6H2,1-3H3/q-1.
What are the key properties of tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide?
tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide has a molecular weight of 535.47 g/mol, XLogP of 3.74, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide is sourced from PubChem (CID 139766252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).