2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine

C33H20F3N3 — CID 155908963

IUPAC2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESFc1ccc(-c2ccccc2-c2cccc(-c3ccccc3-c3ccc(F)cn3)c2-c2ccc(F)cn2)nc1
InChIInChI=1S/C33H20F3N3/c34-21-12-15-30(37-18-21)26-8-3-1-6-24(26)28-10-5-11-29(33(28)32-17-14-23(36)20-39-32)25-7-2-4-9-27(25)31-16-13-22(35)19-38-31/h1-20H
InChIKeyBQHVRAVJOVFJLA-UHFFFAOYSA-N
MW515.54 g/mol
LogP8.62
Rot. Bonds5

About 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine

2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (PubChem CID 155908963) has the molecular formula C33H20F3N3 and a molecular weight of 515.54 g/mol. Its IUPAC name is 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
PubChem CID155908963
Molecular FormulaC33H20F3N3
Molecular Weight515.54 g/mol
Exact Mass515.16
IUPAC Name2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESFc1ccc(-c2ccccc2-c2cccc(-c3ccccc3-c3ccc(F)cn3)c2-c2ccc(F)cn2)nc1
InChIInChI=1S/C33H20F3N3/c34-21-12-15-30(37-18-21)26-8-3-1-6-24(26)28-10-5-11-29(33(28)32-17-14-23(36)20-39-32)25-7-2-4-9-27(25)31-16-13-22(35)19-38-31/h1-20H
InChIKeyBQHVRAVJOVFJLA-UHFFFAOYSA-N
XLogP8.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azatadine
CID 19861
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11530663
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11632351
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
3-(3,5-Difluoropyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646630
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-fluoropyridin-4-yl)pyridazine
CID 11653463
3-(3,5-Difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11717884
2,5-Dipyridin-2-ylpyridine
CID 4580671

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The IUPAC name of 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (CID 155908963) is 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is Fc1ccc(-c2ccccc2-c2cccc(-c3ccccc3-c3ccc(F)cn3)c2-c2ccc(F)cn2)nc1.
What is the InChIKey of 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The InChIKey is BQHVRAVJOVFJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F3N3/c34-21-12-15-30(37-18-21)26-8-3-1-6-24(26)28-10-5-11-29(33(28)32-17-14-23(36)20-39-32)25-7-2-4-9-27(25)31-16-13-22(35)19-38-31/h1-20H.
What are the key properties of 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine has a molecular weight of 515.54 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).