4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane

C20H28B2O4Te — CID 122392974

IUPAC4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2[te]c3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C20H28B2O4Te/c1-17(2)18(3,4)24-21(23-17)15-13-11-9-10-12-14(13)27-16(15)22-25-19(5,6)20(7,8)26-22/h9-12H,1-8H3
InChIKeyNMQIQLGFJQGVCN-UHFFFAOYSA-N
MW481.66 g/mol
LogP2.50
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane (PubChem CID 122392974) has the molecular formula C20H28B2O4Te and a molecular weight of 481.66 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane
PubChem CID122392974
Molecular FormulaC20H28B2O4Te
Molecular Weight481.66 g/mol
Exact Mass484.12
IUPAC Name4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2[te]c3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C20H28B2O4Te/c1-17(2)18(3,4)24-21(23-17)15-13-11-9-10-12-14(13)27-16(15)22-25-19(5,6)20(7,8)26-22/h9-12H,1-8H3
InChIKeyNMQIQLGFJQGVCN-UHFFFAOYSA-N
XLogP2.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-dibenzotellurophen-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156681714
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
4,4,5,5-tetramethyl-2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 22240186
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine
CID 142543722
4,4,5,5-tetramethyl-2-[10-(4-methylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 58836110
4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 154726226
bis(9,10-dibromoanthracene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
CID 160901429
2-(10-bromo-2-methylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123523359
1-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]ethanone
CID 11770905
[10-phosphanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-yl]phosphane
CID 89344875
2-(3-bromo-2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987118
2,4-diphenyl-6-[4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 140793140

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane (CID 122392974) is 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane is CC1(C)OB(c2[te]c3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane?
The InChIKey is NMQIQLGFJQGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28B2O4Te/c1-17(2)18(3,4)24-21(23-17)15-13-11-9-10-12-14(13)27-16(15)22-25-19(5,6)20(7,8)26-22/h9-12H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane has a molecular weight of 481.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzotellurophen-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 122392974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).