[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane

C34H24BN3O — CID 140742144

IUPAC[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane
SMILESCc1ccc2c(n1)oc1c(-c3cccc(B(c4ccccc4)c4cccc(-c5ccccc5)n4)n3)cccc12
InChIInChI=1S/C34H24BN3O/c1-23-21-22-27-26-15-8-16-28(33(26)39-34(27)36-23)30-18-10-20-32(38-30)35(25-13-6-3-7-14-25)31-19-9-17-29(37-31)24-11-4-2-5-12-24/h2-22H,1H3
InChIKeyKLRFIJGJZDPXCG-UHFFFAOYSA-N
MW501.40 g/mol
LogP5.93
Rot. Bonds5

About [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane

[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane (PubChem CID 140742144) has the molecular formula C34H24BN3O and a molecular weight of 501.40 g/mol. Its IUPAC name is [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane.

Molecular Properties

Compound Name[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane
PubChem CID140742144
Molecular FormulaC34H24BN3O
Molecular Weight501.40 g/mol
Exact Mass501.20
IUPAC Name[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane
SMILESCc1ccc2c(n1)oc1c(-c3cccc(B(c4ccccc4)c4cccc(-c5ccccc5)n4)n3)cccc12
InChIInChI=1S/C34H24BN3O/c1-23-21-22-27-26-15-8-16-28(33(26)39-34(27)36-23)30-18-10-20-32(38-30)35(25-13-6-3-7-14-25)31-19-9-17-29(37-31)24-11-4-2-5-12-24/h2-22H,1H3
InChIKeyKLRFIJGJZDPXCG-UHFFFAOYSA-N
XLogP5.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.40
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane with MolForge

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Related Compounds

2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-methyl-8-(2-phenylfuro[3,2-b]pyridin-5-yl)-[1]benzofuro[2,3-b]pyridine
CID 155629013
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
2-methyl-8-[5-methyl-4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779482
2-methyl-8-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170401926
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
8-(2,3-dimethylthieno[2,3-b]pyridin-6-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 168828426
2-methyl-8-(6-phenylfuro[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153444870
2-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 171761185
2-methyl-8-thieno[3,2-b]pyridin-5-yl-[1]benzofuro[2,3-b]pyridine
CID 168828175
2-methyl-8-[6-[[6-(2-methyl-[1]benzothiolo[2,3-b]pyridin-8-yl)-2-pyridinyl]oxy]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742228
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390

Frequently Asked Questions

What is the IUPAC name of [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane?
The IUPAC name of [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane (CID 140742144) is [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane.
What is the SMILES notation for [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane?
The canonical SMILES for [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane is Cc1ccc2c(n1)oc1c(-c3cccc(B(c4ccccc4)c4cccc(-c5ccccc5)n4)n3)cccc12.
What is the InChIKey of [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane?
The InChIKey is KLRFIJGJZDPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BN3O/c1-23-21-22-27-26-15-8-16-28(33(26)39-34(27)36-23)30-18-10-20-32(38-30)35(25-13-6-3-7-14-25)31-19-9-17-29(37-31)24-11-4-2-5-12-24/h2-22H,1H3.
What are the key properties of [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane?
[6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane has a molecular weight of 501.40 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2-pyridinyl]-phenyl-(6-phenyl-2-pyridinyl)borane is sourced from PubChem (CID 140742144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).