methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

C25H29BO2Si — CID 171832535

IUPACmethyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
SMILESCC1(C)OB(c2ccc([Si](C)(c3ccccc3)c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C25H29BO2Si/c1-24(2)25(3,4)28-26(27-24)20-16-18-23(19-17-20)29(5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-19H,1-5H3
InChIKeyQEUYUSCWQZOHEC-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.09
Rot. Bonds4

About methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane (PubChem CID 171832535) has the molecular formula C25H29BO2Si and a molecular weight of 400.40 g/mol. Its IUPAC name is methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane.

Molecular Properties

Compound Namemethyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
PubChem CID171832535
Molecular FormulaC25H29BO2Si
Molecular Weight400.40 g/mol
Exact Mass400.20
IUPAC Namemethyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
SMILESCC1(C)OB(c2ccc([Si](C)(c3ccccc3)c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C25H29BO2Si/c1-24(2)25(3,4)28-26(27-24)20-16-18-23(19-17-20)29(5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-19H,1-5H3
InChIKeyQEUYUSCWQZOHEC-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
CID 102236944
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 164756518
triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane
CID 169031106
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
CID 57416880
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177083301
dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177089483
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174108740
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
2-[4-[4,4-diphenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 89459060

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
The IUPAC name of methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane (CID 171832535) is methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane.
What is the SMILES notation for methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
The canonical SMILES for methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane is CC1(C)OB(c2ccc([Si](C)(c3ccccc3)c3ccccc3)cc2)OC1(C)C.
What is the InChIKey of methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
The InChIKey is QEUYUSCWQZOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BO2Si/c1-24(2)25(3,4)28-26(27-24)20-16-18-23(19-17-20)29(5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-19H,1-5H3.
What are the key properties of methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane has a molecular weight of 400.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane is sourced from PubChem (CID 171832535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).