4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane

C21H23BO2 — CID 159929264

IUPAC4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)CC(c2ccccc2)=C3)OC1(C)C
InChIInChI=1S/C21H23BO2/c1-20(2)21(3,4)24-22(23-20)19-11-10-16-12-17(13-18(16)14-19)15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3
InChIKeyLKSKABNWTJUXLQ-UHFFFAOYSA-N
MW318.23 g/mol
LogP4.08
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane (PubChem CID 159929264) has the molecular formula C21H23BO2 and a molecular weight of 318.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane
PubChem CID159929264
Molecular FormulaC21H23BO2
Molecular Weight318.23 g/mol
Exact Mass318.18
IUPAC Name4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)CC(c2ccccc2)=C3)OC1(C)C
InChIInChI=1S/C21H23BO2/c1-20(2)21(3,4)24-22(23-20)19-11-10-16-12-17(13-18(16)14-19)15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3
InChIKeyLKSKABNWTJUXLQ-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphthalen-2-one
CID 58354222
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005
2-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140863932
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
2-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140796929
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one
CID 144622595
4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-3-yl]-1,3,2-dioxaborolane
CID 153294242
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-[3-(10-phenylboranthren-5-yl)phenyl]-1,3,2-dioxaborolane
CID 156664622
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane (CID 159929264) is 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)CC(c2ccccc2)=C3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane?
The InChIKey is LKSKABNWTJUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BO2/c1-20(2)21(3,4)24-22(23-20)19-11-10-16-12-17(13-18(16)14-19)15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane has a molecular weight of 318.23 g/mol, XLogP of 4.08, 2 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-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159929264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).