2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine

C23H19NO2 — CID 167317447

IUPAC2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine
SMILESCc1ccc(-c2cccc3oc4c(c23)C(C)(C)c2ccccc2O4)nc1
InChIInChI=1S/C23H19NO2/c1-14-11-12-17(24-13-14)15-7-6-10-19-20(15)21-22(26-19)25-18-9-5-4-8-16(18)23(21,2)3/h4-13H,1-3H3
InChIKeyHOEHVRXUSMXCHF-UHFFFAOYSA-N
MW341.41 g/mol
LogP6.23
Rot. Bonds1

About 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine

2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine (PubChem CID 167317447) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine
PubChem CID167317447
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine
SMILESCc1ccc(-c2cccc3oc4c(c23)C(C)(C)c2ccccc2O4)nc1
InChIInChI=1S/C23H19NO2/c1-14-11-12-17(24-13-14)15-7-6-10-19-20(15)21-22(26-19)25-18-9-5-4-8-16(18)23(21,2)3/h4-13H,1-3H3
InChIKeyHOEHVRXUSMXCHF-UHFFFAOYSA-N
XLogP6.23
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine 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

1,5-dimethyl-2-(9,11,11-trimethyl-[1]benzofuro[2,3-b]chromen-10-yl)pyridin-1-ium
CID 167317311
2-(9,9-dimethylxanthen-1-yl)-1,10-phenanthroline
CID 166908205
trimethyl-[4-(5-methyl-2-pyridinyl)dibenzofuran-2-yl]silane
CID 164796799
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
1-(5-methyl-2-pyridinyl)phenanthridine
CID 118552189
5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
CID 158580057
10,12,12-trimethyl-20-oxa-7-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164814685
4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
2-(9,9-dimethylfluoren-1-yl)-4-methylpyridine
CID 156655026
9,9-dimethylxanthene-1,2-diol
CID 150510320

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine?
The IUPAC name of 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine (CID 167317447) is 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine.
What is the SMILES notation for 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine?
The canonical SMILES for 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine is Cc1ccc(-c2cccc3oc4c(c23)C(C)(C)c2ccccc2O4)nc1.
What is the InChIKey of 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine?
The InChIKey is HOEHVRXUSMXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-14-11-12-17(24-13-14)15-7-6-10-19-20(15)21-22(26-19)25-18-9-5-4-8-16(18)23(21,2)3/h4-13H,1-3H3.
What are the key properties of 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine?
2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine has a molecular weight of 341.41 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethyl-[1]benzofuro[2,3-b]chromen-10-yl)-5-methylpyridine is sourced from PubChem (CID 167317447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).