2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine

C30H23BN2O — CID 153421187

IUPAC2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
SMILESCc1ccc(B2c3ccccc3-c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1C
InChIInChI=1S/C30H23BN2O/c1-20-13-16-29(33-21(20)2)31-27-11-4-3-10-25(27)26-15-14-23(19-28(26)31)22-8-7-9-24(18-22)34-30-12-5-6-17-32-30/h3-19H,1-2H3
InChIKeyAYFAYXWVDDXYHC-UHFFFAOYSA-N
MW438.34 g/mol
LogP5.05
Rot. Bonds4

About 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine

2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine (PubChem CID 153421187) has the molecular formula C30H23BN2O and a molecular weight of 438.34 g/mol. Its IUPAC name is 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
PubChem CID153421187
Molecular FormulaC30H23BN2O
Molecular Weight438.34 g/mol
Exact Mass438.19
IUPAC Name2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine
SMILESCc1ccc(B2c3ccccc3-c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1C
InChIInChI=1S/C30H23BN2O/c1-20-13-16-29(33-21(20)2)31-27-11-4-3-10-25(27)26-15-14-23(19-28(26)31)22-8-7-9-24(18-22)34-30-12-5-6-17-32-30/h3-19H,1-2H3
InChIKeyAYFAYXWVDDXYHC-UHFFFAOYSA-N
XLogP5.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine 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-[3-[3-[[4-(dimethylamino)-2-pyridinyl]oxy]phenyl]benzo[b][1]benzoborol-5-yl]-N,N-dimethylpyridin-4-amine
CID 153421588
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
CID 153421853
3-methyl-2-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzobismol-5-yl]pyridine
CID 153421691
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
5-methyl-6-(3-pyridin-2-yloxyphenyl)quinazoline-2,4-diamine
CID 134112776
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
ethane;2-phenoxypyridine
CID 90835857
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine?
The IUPAC name of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine (CID 153421187) is 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine.
What is the SMILES notation for 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine?
The canonical SMILES for 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine is Cc1ccc(B2c3ccccc3-c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1C.
What is the InChIKey of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine?
The InChIKey is AYFAYXWVDDXYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BN2O/c1-20-13-16-29(33-21(20)2)31-27-11-4-3-10-25(27)26-15-14-23(19-28(26)31)22-8-7-9-24(18-22)34-30-12-5-6-17-32-30/h3-19H,1-2H3.
What are the key properties of 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine?
2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine has a molecular weight of 438.34 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzoborol-5-yl]pyridine is sourced from PubChem (CID 153421187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).