2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine

C25H19NO — CID 162707337

IUPAC2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
SMILESCC(c1ccccc1)c1ccnc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C25H19NO/c1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22/h2-17H,1H3
InChIKeyXLEMGPJDVBHNJX-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.80
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine

2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine (PubChem CID 162707337) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
PubChem CID162707337
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
SMILESCC(c1ccccc1)c1ccnc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C25H19NO/c1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22/h2-17H,1H3
InChIKeyXLEMGPJDVBHNJX-UHFFFAOYSA-N
XLogP6.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710192
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708909
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine (CID 162707337) is 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine is CC(c1ccccc1)c1ccnc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine?
The InChIKey is XLEMGPJDVBHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22/h2-17H,1H3.
What are the key properties of 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine?
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine has a molecular weight of 349.43 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine is sourced from PubChem (CID 162707337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).