4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C27H24BN3O3 — CID 142737593

IUPAC4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCC1(C)OB(c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccccn3)n2)OC1(C)C
InChIInChI=1S/C27H24BN3O3/c1-26(2)27(3,4)34-28(33-26)25-30-21(16-22(31-25)20-10-7-8-14-29-20)17-12-13-19-18-9-5-6-11-23(18)32-24(19)15-17/h5-16H,1-4H3
InChIKeyOLPLPWBMIBWWEQ-UHFFFAOYSA-N
MW449.32 g/mol
LogP5.40
Rot. Bonds3

About 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 142737593) has the molecular formula C27H24BN3O3 and a molecular weight of 449.32 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
PubChem CID142737593
Molecular FormulaC27H24BN3O3
Molecular Weight449.32 g/mol
Exact Mass449.19
IUPAC Name4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCC1(C)OB(c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccccn3)n2)OC1(C)C
InChIInChI=1S/C27H24BN3O3/c1-26(2)27(3,4)34-28(33-26)25-30-21(16-22(31-25)20-10-7-8-14-29-20)17-12-13-19-18-9-5-6-11-23(18)32-24(19)15-17/h5-16H,1-4H3
InChIKeyOLPLPWBMIBWWEQ-UHFFFAOYSA-N
XLogP5.40
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine 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

2,4-di(dibenzofuran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 176740304
2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine
CID 156509413
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]pyridine
CID 140786202
2-[12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chrysen-6-yl]pyridine
CID 162519708
4-dibenzofuran-3-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 149371859
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)pyridine
CID 176787817
2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009424
4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
CID 152830256

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 142737593) is 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is CC1(C)OB(c2nc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccccn3)n2)OC1(C)C.
What is the InChIKey of 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The InChIKey is OLPLPWBMIBWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BN3O3/c1-26(2)27(3,4)34-28(33-26)25-30-21(16-22(31-25)20-10-7-8-14-29-20)17-12-13-19-18-9-5-6-11-23(18)32-24(19)15-17/h5-16H,1-4H3.
What are the key properties of 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 449.32 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 142737593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).