4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane

C28H25BO3 — CID 166501631

IUPAC4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc(-c3cccc4oc5cc6ccccc6cc5c34)c2)OC1(C)C
InChIInChI=1S/C28H25BO3/c1-27(2)28(3,4)32-29(31-27)21-12-7-11-20(15-21)22-13-8-14-24-26(22)23-16-18-9-5-6-10-19(18)17-25(23)30-24/h5-17H,1-4H3
InChIKeyBOSJZJNWQLARCJ-UHFFFAOYSA-N
MW420.32 g/mol
LogP6.71
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane (PubChem CID 166501631) has the molecular formula C28H25BO3 and a molecular weight of 420.32 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane
PubChem CID166501631
Molecular FormulaC28H25BO3
Molecular Weight420.32 g/mol
Exact Mass420.19
IUPAC Name4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc(-c3cccc4oc5cc6ccccc6cc5c34)c2)OC1(C)C
InChIInChI=1S/C28H25BO3/c1-27(2)28(3,4)32-29(31-27)21-12-7-11-20(15-21)22-13-8-14-24-26(22)23-16-18-9-5-6-10-19(18)17-25(23)30-24/h5-17H,1-4H3
InChIKeyBOSJZJNWQLARCJ-UHFFFAOYSA-N
XLogP6.71
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.32
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-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

2-[9-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174110681
4,4,5,5-tetramethyl-2-[3-[3-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 174246089
4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408
4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
4,4,5,5-tetramethyl-2-(9-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 147449169
2-[3-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002793
4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
CID 152830256
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
2-(8-bromodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 157145103
2-[3-(4-dibenzofuran-2-yl-6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169039936
CID 160737271
CID 160737271

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane (CID 166501631) is 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(-c3cccc4oc5cc6ccccc6cc5c34)c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane?
The InChIKey is BOSJZJNWQLARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BO3/c1-27(2)28(3,4)32-29(31-27)21-12-7-11-20(15-21)22-13-8-14-24-26(22)23-16-18-9-5-6-10-19(18)17-25(23)30-24/h5-17H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane has a molecular weight of 420.32 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 166501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).