4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane

C28H25BO3 — CID 152830256

IUPAC4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2-c2ccc3cc4oc5ccccc5c4cc3c2)OC1(C)C
InChIInChI=1S/C28H25BO3/c1-27(2)28(3,4)32-29(31-27)24-11-7-5-9-21(24)19-14-13-18-17-26-23(16-20(18)15-19)22-10-6-8-12-25(22)30-26/h5-17H,1-4H3
InChIKeySWBNOPMFWLIIRA-UHFFFAOYSA-N
MW420.32 g/mol
LogP6.71
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane (PubChem CID 152830256) has the molecular formula C28H25BO3 and a molecular weight of 420.32 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
PubChem CID152830256
Molecular FormulaC28H25BO3
Molecular Weight420.32 g/mol
Exact Mass420.19
IUPAC Name4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2-c2ccc3cc4oc5ccccc5c4cc3c2)OC1(C)C
InChIInChI=1S/C28H25BO3/c1-27(2)28(3,4)32-29(31-27)24-11-7-5-9-21(24)19-14-13-18-17-26-23(16-20(18)15-19)22-10-6-8-12-25(22)30-26/h5-17H,1-4H3
InChIKeySWBNOPMFWLIIRA-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'}

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Related Compounds

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-(6-naphtho[2,3-b][1]benzofuran-9-yldibenzofuran-4-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(7-naphtho[3,2-b][1]benzofuran-8-yldibenzofuran-2-yl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(8-naphtho[7,6-b][1]benzofuran-7-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 158464335
4,4,5,5-tetramethyl-2-(5-naphthalen-2-ylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 176598740
4,4,5,5-tetramethyl-2-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,2-dioxaborolane
CID 166501631
4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262165
2-[3-(4-dibenzofuran-2-yl-6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169039936
2,4-di(dibenzofuran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 176740304
2-[9-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174110681
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153289648
4,4,5,5-tetramethyl-2-(8-phenanthren-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 140946516
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane (CID 152830256) is 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2-c2ccc3cc4oc5ccccc5c4cc3c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane?
The InChIKey is SWBNOPMFWLIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BO3/c1-27(2)28(3,4)32-29(31-27)24-11-7-5-9-21(24)19-14-13-18-17-26-23(16-20(18)15-19)22-10-6-8-12-25(22)30-26/h5-17H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-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-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 152830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).