5-tert-butyl-2-dibenzofuran-4-ylpyridine

C21H19NO — CID 176637514

IUPAC5-tert-butyl-2-dibenzofuran-4-ylpyridine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2ccccc23)nc1
InChIInChI=1S/C21H19NO/c1-21(2,3)14-11-12-18(22-13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17/h4-13H,1-3H3
InChIKeyWQMLZJMCVMYBCY-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.95
Rot. Bonds1

About 5-tert-butyl-2-dibenzofuran-4-ylpyridine

5-tert-butyl-2-dibenzofuran-4-ylpyridine (PubChem CID 176637514) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-tert-butyl-2-dibenzofuran-4-ylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-dibenzofuran-4-ylpyridine
PubChem CID176637514
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name5-tert-butyl-2-dibenzofuran-4-ylpyridine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2ccccc23)nc1
InChIInChI=1S/C21H19NO/c1-21(2,3)14-11-12-18(22-13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17/h4-13H,1-3H3
InChIKeyWQMLZJMCVMYBCY-UHFFFAOYSA-N
XLogP5.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
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
2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 123749789
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-dibenzofuran-4-ylpyridine?
The IUPAC name of 5-tert-butyl-2-dibenzofuran-4-ylpyridine (CID 176637514) is 5-tert-butyl-2-dibenzofuran-4-ylpyridine.
What is the SMILES notation for 5-tert-butyl-2-dibenzofuran-4-ylpyridine?
The canonical SMILES for 5-tert-butyl-2-dibenzofuran-4-ylpyridine is CC(C)(C)c1ccc(-c2cccc3c2oc2ccccc23)nc1.
What is the InChIKey of 5-tert-butyl-2-dibenzofuran-4-ylpyridine?
The InChIKey is WQMLZJMCVMYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(2,3)14-11-12-18(22-13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17/h4-13H,1-3H3.
What are the key properties of 5-tert-butyl-2-dibenzofuran-4-ylpyridine?
5-tert-butyl-2-dibenzofuran-4-ylpyridine has a molecular weight of 301.39 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-dibenzofuran-4-ylpyridine is sourced from PubChem (CID 176637514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).