4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane

C31H31BO2Si — CID 155787300

IUPAC4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(-c3cccc4c3-c3ccccc3[Si]4(C)c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C31H31BO2Si/c1-30(2)31(3,4)34-32(33-30)23-20-18-22(19-21-23)25-15-11-17-28-29(25)26-14-9-10-16-27(26)35(28,5)24-12-7-6-8-13-24/h6-21H,1-5H3
InChIKeyTYESUJYYAGIFML-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.73
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 155787300) has the molecular formula C31H31BO2Si and a molecular weight of 474.49 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane
PubChem CID155787300
Molecular FormulaC31H31BO2Si
Molecular Weight474.49 g/mol
Exact Mass474.22
IUPAC Name4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(-c3cccc4c3-c3ccccc3[Si]4(C)c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C31H31BO2Si/c1-30(2)31(3,4)34-32(33-30)23-20-18-22(19-21-23)25-15-11-17-28-29(25)26-14-9-10-16-27(26)35(28,5)24-12-7-6-8-13-24/h6-21H,1-5H3
InChIKeyTYESUJYYAGIFML-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 129322892
2-(4-anthracen-1-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175317560
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1,3-diol
CID 144987923
5-chloro-21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene;2-(21,21-diphenyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161001098
4,4,5,5-tetramethyl-2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-1-yl)-1,3,2-dioxaborolane
CID 155787068
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
2-[4-[2,5-dimethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164738613
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
4,4,5,5-tetramethyl-2-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165007467
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164817103

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane (CID 155787300) is 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(-c3cccc4c3-c3ccccc3[Si]4(C)c3ccccc3)cc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is TYESUJYYAGIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31BO2Si/c1-30(2)31(3,4)34-32(33-30)23-20-18-22(19-21-23)25-15-11-17-28-29(25)26-14-9-10-16-27(26)35(28,5)24-12-7-6-8-13-24/h6-21H,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 474.49 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[4-(5-methyl-5-phenylbenzo[b][1]benzosilol-1-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 155787300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).