5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine

C26H22N2O — CID 155611770

IUPAC5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-c2ccc3c(n2)oc2c(-c4ccccn4)ccc(C)c23)c(C)c1
InChIInChI=1S/C26H22N2O/c1-15-13-17(3)23(18(4)14-15)22-11-10-20-24-16(2)8-9-19(21-7-5-6-12-27-21)25(24)29-26(20)28-22/h5-14H,1-4H3
InChIKeyQSJONJFUEQEUCA-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.94
Rot. Bonds2

About 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine

5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611770) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID155611770
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-c2ccc3c(n2)oc2c(-c4ccccn4)ccc(C)c23)c(C)c1
InChIInChI=1S/C26H22N2O/c1-15-13-17(3)23(18(4)14-15)22-11-10-20-24-16(2)8-9-19(21-7-5-6-12-27-21)25(24)29-26(20)28-22/h5-14H,1-4H3
InChIKeyQSJONJFUEQEUCA-UHFFFAOYSA-N
XLogP6.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827574
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 157260650
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 153448932
19-(2,6-dimethylphenyl)-16-oxa-9,18-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17(22),18,20,24-dodecaene
CID 157124627
2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667515

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine (CID 155611770) is 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine is Cc1cc(C)c(-c2ccc3c(n2)oc2c(-c4ccccn4)ccc(C)c23)c(C)c1.
What is the InChIKey of 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is QSJONJFUEQEUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-15-13-17(3)23(18(4)14-15)22-11-10-20-24-16(2)8-9-19(21-7-5-6-12-27-21)25(24)29-26(20)28-22/h5-14H,1-4H3.
What are the key properties of 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine?
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 378.48 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).