2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C30H27BO3 — CID 156803724

IUPAC2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(-c3ccccc3)c3oc4c(-c5ccccc5)cccc4c23)OC1(C)C
InChIInChI=1S/C30H27BO3/c1-29(2)30(3,4)34-31(33-29)25-19-18-23(21-14-9-6-10-15-21)28-26(25)24-17-11-16-22(27(24)32-28)20-12-7-5-8-13-20/h5-19H,1-4H3
InChIKeyNWQMOJVMGNCDLE-UHFFFAOYSA-N
MW446.36 g/mol
LogP7.22
Rot. Bonds3

About 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 156803724) has the molecular formula C30H27BO3 and a molecular weight of 446.36 g/mol. Its IUPAC name is 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID156803724
Molecular FormulaC30H27BO3
Molecular Weight446.36 g/mol
Exact Mass446.21
IUPAC Name2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(-c3ccccc3)c3oc4c(-c5ccccc5)cccc4c23)OC1(C)C
InChIInChI=1S/C30H27BO3/c1-29(2)30(3,4)34-31(33-29)25-19-18-23(21-14-9-6-10-15-21)28-26(25)24-17-11-16-22(27(24)32-28)20-12-7-5-8-13-20/h5-19H,1-4H3
InChIKeyNWQMOJVMGNCDLE-UHFFFAOYSA-N
XLogP7.22
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.36
LogP ≤ 57.22
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

9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
CID 156803722
4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 164808595
4,4,5,5-tetramethyl-2-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,2-dioxaborolane
CID 176853425
2-[4-[1-(1-dibenzofuran-4-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149342660
4,4,5,5-tetramethyl-2-[12-phenyl-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-1,3,2-dioxaborolane
CID 149018702
2-[4-[1-(1-dibenzofuran-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002794
1,6-diphenyldibenzofuran
CID 145331756
1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium
CID 158232144
4,4,5,5-tetramethyl-2-(7-phenyl-1-benzofuran-2-yl)-1,3,2-dioxaborolane
CID 140898384
4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 155603276
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 123270176
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-(4-phenylphenyl)aniline;8-chloronaphtho[2,1-b][1]benzofuran;methane;N-[4-(4-phenylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 158964418

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 156803724) is 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(-c3ccccc3)c3oc4c(-c5ccccc5)cccc4c23)OC1(C)C.
What is the InChIKey of 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NWQMOJVMGNCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27BO3/c1-29(2)30(3,4)34-31(33-29)25-19-18-23(21-14-9-6-10-15-21)28-26(25)24-17-11-16-22(27(24)32-28)20-12-7-5-8-13-20/h5-19H,1-4H3.
What are the key properties of 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 446.36 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 156803724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).