3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C28H26N2O — CID 162776993

IUPAC3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccccc1-c1nc2oc3c(-c4cc(CC(C)C)ccn4)cccc3c2cc1C
InChIInChI=1S/C28H26N2O/c1-17(2)14-20-12-13-29-25(16-20)23-11-7-10-22-24-15-19(4)26(30-28(24)31-27(22)23)21-9-6-5-8-18(21)3/h5-13,15-17H,14H2,1-4H3
InChIKeyNDOYVGIBCUNVTH-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.53
Rot. Bonds4

About 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 162776993) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID162776993
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccccc1-c1nc2oc3c(-c4cc(CC(C)C)ccn4)cccc3c2cc1C
InChIInChI=1S/C28H26N2O/c1-17(2)14-20-12-13-29-25(16-20)23-11-7-10-22-24-15-19(4)26(30-28(24)31-27(22)23)21-9-6-5-8-18(21)3/h5-13,15-17H,14H2,1-4H3
InChIKeyNDOYVGIBCUNVTH-UHFFFAOYSA-N
XLogP7.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874
5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611333
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
2-[1-methyl-4-[2-[4-(2-methylpropyl)-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 140833006
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038674

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 162776993) is 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccccc1-c1nc2oc3c(-c4cc(CC(C)C)ccn4)cccc3c2cc1C.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NDOYVGIBCUNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-17(2)14-20-12-13-29-25(16-20)23-11-7-10-22-24-15-19(4)26(30-28(24)31-27(22)23)21-9-6-5-8-18(21)3/h5-13,15-17H,14H2,1-4H3.
What are the key properties of 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 406.53 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162776993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).