2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine

C29H27FN2 — CID 155908892

IUPAC2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESC=Cc1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ncccc2C)c1
InChIInChI=1S/C29H27FN2/c1-6-20-9-12-24(26(16-20)28-19(2)8-7-15-31-28)23-13-10-21(29(3,4)5)17-25(23)27-14-11-22(30)18-32-27/h6-18H,1H2,2-5H3
InChIKeyMGSDXSLLWAKPAU-UHFFFAOYSA-N
MW422.55 g/mol
LogP7.87
Rot. Bonds4

About 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (PubChem CID 155908892) has the molecular formula C29H27FN2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
PubChem CID155908892
Molecular FormulaC29H27FN2
Molecular Weight422.55 g/mol
Exact Mass422.22
IUPAC Name2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESC=Cc1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ncccc2C)c1
InChIInChI=1S/C29H27FN2/c1-6-20-9-12-24(26(16-20)28-19(2)8-7-15-31-28)23-13-10-21(29(3,4)5)17-25(23)27-14-11-22(30)18-32-27/h6-18H,1H2,2-5H3
InChIKeyMGSDXSLLWAKPAU-UHFFFAOYSA-N
XLogP7.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Dimethindene
CID 21855
Azatadine
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BC-1215
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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-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (CID 155908892) is 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is C=Cc1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ncccc2C)c1.
What is the InChIKey of 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The InChIKey is MGSDXSLLWAKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2/c1-6-20-9-12-24(26(16-20)28-19(2)8-7-15-31-28)23-13-10-21(29(3,4)5)17-25(23)27-14-11-22(30)18-32-27/h6-18H,1H2,2-5H3.
What are the key properties of 2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[4-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine has a molecular weight of 422.55 g/mol, XLogP of 7.87, 4 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-ethenyl-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).