3,5-bis[3-(3-fluorophenyl)phenyl]pyridine

C29H19F2N — CID 144604637

IUPAC3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
SMILESFc1cccc(-c2cccc(-c3cncc(-c4cccc(-c5cccc(F)c5)c4)c3)c2)c1
InChIInChI=1S/C29H19F2N/c30-28-11-3-9-24(16-28)20-5-1-7-22(13-20)26-15-27(19-32-18-26)23-8-2-6-21(14-23)25-10-4-12-29(31)17-25/h1-19H
InChIKeyMNEKVZLYFFEKMN-UHFFFAOYSA-N
MW419.47 g/mol
LogP8.03
Rot. Bonds4

About 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine

3,5-bis[3-(3-fluorophenyl)phenyl]pyridine (PubChem CID 144604637) has the molecular formula C29H19F2N and a molecular weight of 419.47 g/mol. Its IUPAC name is 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine.

Molecular Properties

Compound Name3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
PubChem CID144604637
Molecular FormulaC29H19F2N
Molecular Weight419.47 g/mol
Exact Mass419.15
IUPAC Name3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
SMILESFc1cccc(-c2cccc(-c3cncc(-c4cccc(-c5cccc(F)c5)c4)c3)c2)c1
InChIInChI=1S/C29H19F2N/c30-28-11-3-9-24(16-28)20-5-1-7-22(13-20)26-15-27(19-32-18-26)23-8-2-6-21(14-23)25-10-4-12-29(31)17-25/h1-19H
InChIKeyMNEKVZLYFFEKMN-UHFFFAOYSA-N
XLogP8.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
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3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
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2-chloro-5-(3-fluorophenyl)-3-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine?
The IUPAC name of 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine (CID 144604637) is 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine.
What is the SMILES notation for 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine?
The canonical SMILES for 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine is Fc1cccc(-c2cccc(-c3cncc(-c4cccc(-c5cccc(F)c5)c4)c3)c2)c1.
What is the InChIKey of 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine?
The InChIKey is MNEKVZLYFFEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N/c30-28-11-3-9-24(16-28)20-5-1-7-22(13-20)26-15-27(19-32-18-26)23-8-2-6-21(14-23)25-10-4-12-29(31)17-25/h1-19H.
What are the key properties of 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine?
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine has a molecular weight of 419.47 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(3-fluorophenyl)phenyl]pyridine is sourced from PubChem (CID 144604637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).