4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine

C27H25NO — CID 156655181

IUPAC4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(C4C5CC6CC(C5)CC4C6)ccn3)cccc12
InChIInChI=1S/C27H25NO/c1-2-7-25-21(4-1)22-5-3-6-23(27(22)29-25)24-15-18(8-9-28-24)26-19-11-16-10-17(13-19)14-20(26)12-16/h1-9,15-17,19-20,26H,10-14H2
InChIKeyYEONLSNLFABJQQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP7.19
Rot. Bonds2

About 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine

4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine (PubChem CID 156655181) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine.

Molecular Properties

Compound Name4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
PubChem CID156655181
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(C4C5CC6CC(C5)CC4C6)ccn3)cccc12
InChIInChI=1S/C27H25NO/c1-2-7-25-21(4-1)22-5-3-6-23(27(22)29-25)24-15-18(8-9-28-24)26-19-11-16-10-17(13-19)14-20(26)12-16/h1-9,15-17,19-20,26H,10-14H2
InChIKeyYEONLSNLFABJQQ-UHFFFAOYSA-N
XLogP7.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
CID 171576900
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
CID 25218280
2-dibenzofuran-4-yl-4-octylpyridine
CID 171576908
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-naphtho[2,1-b][1]benzofuran-8-ylpyridine
CID 166043947
2-dibenzofuran-4-yl-1H-imidazole
CID 123662099

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine?
The IUPAC name of 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine (CID 156655181) is 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine.
What is the SMILES notation for 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine?
The canonical SMILES for 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine is c1ccc2c(c1)oc1c(-c3cc(C4C5CC6CC(C5)CC4C6)ccn3)cccc12.
What is the InChIKey of 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine?
The InChIKey is YEONLSNLFABJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-2-7-25-21(4-1)22-5-3-6-23(27(22)29-25)24-15-18(8-9-28-24)26-19-11-16-10-17(13-19)14-20(26)12-16/h1-9,15-17,19-20,26H,10-14H2.
What are the key properties of 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine?
4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine has a molecular weight of 379.50 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine is sourced from PubChem (CID 156655181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).