2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine

C29H26FNO — CID 170047501

IUPAC2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
SMILESCC(C)c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc(C(C)C)c1F
InChIInChI=1S/C29H26FNO/c1-17(2)24-14-20(15-25(18(3)4)28(24)30)19-12-13-26(31-16-19)23-10-7-9-22-21-8-5-6-11-27(21)32-29(22)23/h5-18H,1-4H3
InChIKeyLFADBGWTTJXWMK-UHFFFAOYSA-N
MW423.53 g/mol
LogP8.70
Rot. Bonds4

About 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine

2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine (PubChem CID 170047501) has the molecular formula C29H26FNO and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
PubChem CID170047501
Molecular FormulaC29H26FNO
Molecular Weight423.53 g/mol
Exact Mass423.20
IUPAC Name2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine
SMILESCC(C)c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc(C(C)C)c1F
InChIInChI=1S/C29H26FNO/c1-17(2)24-14-20(15-25(18(3)4)28(24)30)19-12-13-26(31-16-19)23-10-7-9-22-21-8-5-6-11-27(21)32-29(22)23/h5-18H,1-4H3
InChIKeyLFADBGWTTJXWMK-UHFFFAOYSA-N
XLogP8.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170043073
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
5-dibenzofuran-4-yl-2-(4-fluorophenyl)furo[2,3-c]pyridine
CID 155626390
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
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-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine (CID 170047501) is 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine is CC(C)c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc(C(C)C)c1F.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine?
The InChIKey is LFADBGWTTJXWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO/c1-17(2)24-14-20(15-25(18(3)4)28(24)30)19-12-13-26(31-16-19)23-10-7-9-22-21-8-5-6-11-27(21)32-29(22)23/h5-18H,1-4H3.
What are the key properties of 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine?
2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine has a molecular weight of 423.53 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[4-fluoro-3,5-di(propan-2-yl)phenyl]pyridine is sourced from PubChem (CID 170047501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).