triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide

C27H24BF4O3Si- — CID 139766289

IUPACtriphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
SMILESCO[Si](OC)(OC)c1c(F)c(F)c([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C27H24BF4O3Si/c1-33-36(34-2,35-3)27-25(31)23(29)22(24(30)26(27)32)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3/q-1
InChIKeyDDLGSJUQEGUZLG-UHFFFAOYSA-N
MW511.38 g/mol
LogP2.71
Rot. Bonds8

About triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide

triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide (PubChem CID 139766289) has the molecular formula C27H24BF4O3Si- and a molecular weight of 511.38 g/mol. Its IUPAC name is triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide.

Molecular Properties

Compound Nametriphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
PubChem CID139766289
Molecular FormulaC27H24BF4O3Si-
Molecular Weight511.38 g/mol
Exact Mass511.15
IUPAC Nametriphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
SMILESCO[Si](OC)(OC)c1c(F)c(F)c([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C27H24BF4O3Si/c1-33-36(34-2,35-3)27-25(31)23(29)22(24(30)26(27)32)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3/q-1
InChIKeyDDLGSJUQEGUZLG-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857
tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
CID 11498397
[cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]benzene;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
CID 139766393
[4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene
CID 22239783
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide
CID 22239758
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
tetraphenylboranuide tetrafluoroborate
CID 87564099
methanamine;tetraphenylboranuide
CID 175835863
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
methyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23352825
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
1-methoxypyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139732586

Frequently Asked Questions

What is the IUPAC name of triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
The IUPAC name of triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide (CID 139766289) is triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide.
What is the SMILES notation for triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
The canonical SMILES for triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide is CO[Si](OC)(OC)c1c(F)c(F)c([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
The InChIKey is DDLGSJUQEGUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BF4O3Si/c1-33-36(34-2,35-3)27-25(31)23(29)22(24(30)26(27)32)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3/q-1.
What are the key properties of triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide has a molecular weight of 511.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide is sourced from PubChem (CID 139766289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).