8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine

C27H24N2O — CID 155611435

IUPAC8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)C(C)c1ccnc(-c2cccc3c2oc2ncc(-c4ccccc4)cc23)c1
InChIInChI=1S/C27H24N2O/c1-17(2)18(3)20-12-13-28-25(15-20)23-11-7-10-22-24-14-21(19-8-5-4-6-9-19)16-29-27(24)30-26(22)23/h4-18H,1-3H3
InChIKeyIDVSLDFHWJPQCL-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.47
Rot. Bonds4

About 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine

8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611435) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID155611435
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)C(C)c1ccnc(-c2cccc3c2oc2ncc(-c4ccccc4)cc23)c1
InChIInChI=1S/C27H24N2O/c1-17(2)18(3)20-12-13-28-25(15-20)23-11-7-10-22-24-14-21(19-8-5-4-6-9-19)16-29-27(24)30-26(22)23/h4-18H,1-3H3
InChIKeyIDVSLDFHWJPQCL-UHFFFAOYSA-N
XLogP7.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
8-(4-pentan-3-yl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 155612290

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine (CID 155611435) is 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine is CC(C)C(C)c1ccnc(-c2cccc3c2oc2ncc(-c4ccccc4)cc23)c1.
What is the InChIKey of 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IDVSLDFHWJPQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-17(2)18(3)20-12-13-28-25(15-20)23-11-7-10-22-24-14-21(19-8-5-4-6-9-19)16-29-27(24)30-26(22)23/h4-18H,1-3H3.
What are the key properties of 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 392.50 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).