2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine

C30H31FN2 — CID 155908916

IUPAC2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ccccn2)c1
InChIInChI=1S/C30H31FN2/c1-29(2,3)20-10-13-23(25(17-20)27-9-7-8-16-32-27)24-14-11-21(30(4,5)6)18-26(24)28-15-12-22(31)19-33-28/h7-19H,1-6H3
InChIKeyVIJXXWFGKFGQLI-UHFFFAOYSA-N
MW438.59 g/mol
LogP8.21
Rot. Bonds3

About 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine (PubChem CID 155908916) has the molecular formula C30H31FN2 and a molecular weight of 438.59 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine
PubChem CID155908916
Molecular FormulaC30H31FN2
Molecular Weight438.59 g/mol
Exact Mass438.25
IUPAC Name2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ccccn2)c1
InChIInChI=1S/C30H31FN2/c1-29(2,3)20-10-13-23(25(17-20)27-9-7-8-16-32-27)24-14-11-21(30(4,5)6)18-26(24)28-15-12-22(31)19-33-28/h7-19H,1-6H3
InChIKeyVIJXXWFGKFGQLI-UHFFFAOYSA-N
XLogP8.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Dimethindene
CID 21855
Azatadine
CID 19861
BC-1215
CID 72201045
3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
3-(Naphthalen-2-yl)pyridine
CID 11845485
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine (CID 155908916) is 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ccccn2)c1.
What is the InChIKey of 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
The InChIKey is VIJXXWFGKFGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2/c1-29(2,3)20-10-13-23(25(17-20)27-9-7-8-16-32-27)24-14-11-21(30(4,5)6)18-26(24)28-15-12-22(31)19-33-28/h7-19H,1-6H3.
What are the key properties of 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine has a molecular weight of 438.59 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).