4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine

C26H21NO — CID 162708112

IUPAC4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
SMILESCc1ccnc(-c2ccc3oc4cc(C(C)c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C26H21NO/c1-17-12-13-27-24(14-17)21-9-11-25-23(15-21)22-10-8-20(16-26(22)28-25)18(2)19-6-4-3-5-7-19/h3-16,18H,1-2H3
InChIKeyFXIYJVUQGOOGQW-UHFFFAOYSA-N
MW363.46 g/mol
LogP7.11
Rot. Bonds3

About 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine

4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine (PubChem CID 162708112) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
PubChem CID162708112
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
SMILESCc1ccnc(-c2ccc3oc4cc(C(C)c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C26H21NO/c1-17-12-13-27-24(14-17)21-9-11-25-23(15-21)22-10-8-20(16-26(22)28-25)18(2)19-6-4-3-5-7-19/h3-16,18H,1-2H3
InChIKeyFXIYJVUQGOOGQW-UHFFFAOYSA-N
XLogP7.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
CID 162709674
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 162710331
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine?
The IUPAC name of 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine (CID 162708112) is 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine?
The canonical SMILES for 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine is Cc1ccnc(-c2ccc3oc4cc(C(C)c5ccccc5)ccc4c3c2)c1.
What is the InChIKey of 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine?
The InChIKey is FXIYJVUQGOOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-17-12-13-27-24(14-17)21-9-11-25-23(15-21)22-10-8-20(16-26(22)28-25)18(2)19-6-4-3-5-7-19/h3-16,18H,1-2H3.
What are the key properties of 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine?
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine has a molecular weight of 363.46 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine is sourced from PubChem (CID 162708112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).