3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine

C32H26N2O — CID 162709104

IUPAC3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cnc(-c2cnc3oc4ccccc4c3c2C(C)(C)c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C32H26N2O/c1-21-19-33-27(18-25(21)22-12-6-4-7-13-22)26-20-34-31-29(24-16-10-11-17-28(24)35-31)30(26)32(2,3)23-14-8-5-9-15-23/h4-20H,1-3H3
InChIKeyKASVBAOANHIDSG-UHFFFAOYSA-N
MW454.57 g/mol
LogP8.34
Rot. Bonds4

About 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine

3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 162709104) has the molecular formula C32H26N2O and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID162709104
Molecular FormulaC32H26N2O
Molecular Weight454.57 g/mol
Exact Mass454.20
IUPAC Name3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cnc(-c2cnc3oc4ccccc4c3c2C(C)(C)c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C32H26N2O/c1-21-19-33-27(18-25(21)22-12-6-4-7-13-22)26-20-34-31-29(24-16-10-11-17-28(24)35-31)30(26)32(2,3)23-14-8-5-9-15-23/h4-20H,1-3H3
InChIKeyKASVBAOANHIDSG-UHFFFAOYSA-N
XLogP8.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]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

5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
CID 162708001
2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162707338
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(1-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)pyridine
CID 166575779
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
2-[1-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 162709912
2,5-dimethyl-4-phenylpyridine
CID 603086
2,3-dimethyl-8-(4-methyl-5-phenyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyrazine
CID 162709318
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 162709104) is 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1cnc(-c2cnc3oc4ccccc4c3c2C(C)(C)c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is KASVBAOANHIDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O/c1-21-19-33-27(18-25(21)22-12-6-4-7-13-22)26-20-34-31-29(24-16-10-11-17-28(24)35-31)30(26)32(2,3)23-14-8-5-9-15-23/h4-20H,1-3H3.
What are the key properties of 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine?
3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 454.57 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-phenyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162709104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).