5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine

C44H26F4N4 — CID 155908938

IUPAC5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESFc1ccc(-c2ccccc2-c2cccc(-c3cccc(-c4ccccc4-c4ccc(F)cn4)c3-c3ccc(F)cn3)c2-c2ccc(F)cn2)nc1
InChIInChI=1S/C44H26F4N4/c45-27-15-19-39(49-23-27)33-9-3-1-7-31(33)35-11-5-13-37(43(35)41-21-17-29(47)25-51-41)38-14-6-12-36(44(38)42-22-18-30(48)26-52-42)32-8-2-4-10-34(32)40-20-16-28(46)24-50-40/h1-26H
InChIKeyDAGZCULADZVMGE-UHFFFAOYSA-N
MW686.71 g/mol
LogP11.49
Rot. Bonds7

About 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine

5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 155908938) has the molecular formula C44H26F4N4 and a molecular weight of 686.71 g/mol. Its IUPAC name is 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID155908938
Molecular FormulaC44H26F4N4
Molecular Weight686.71 g/mol
Exact Mass686.21
IUPAC Name5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESFc1ccc(-c2ccccc2-c2cccc(-c3cccc(-c4ccccc4-c4ccc(F)cn4)c3-c3ccc(F)cn3)c2-c2ccc(F)cn2)nc1
InChIInChI=1S/C44H26F4N4/c45-27-15-19-39(49-23-27)33-9-3-1-7-31(33)35-11-5-13-37(43(35)41-21-17-29(47)25-51-41)38-14-6-12-36(44(38)42-22-18-30(48)26-52-42)32-8-2-4-10-34(32)40-20-16-28(46)24-50-40/h1-26H
InChIKeyDAGZCULADZVMGE-UHFFFAOYSA-N
XLogP11.49
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.71
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
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
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 155908938) is 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine is Fc1ccc(-c2ccccc2-c2cccc(-c3cccc(-c4ccccc4-c4ccc(F)cn4)c3-c3ccc(F)cn3)c2-c2ccc(F)cn2)nc1.
What is the InChIKey of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is DAGZCULADZVMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F4N4/c45-27-15-19-39(49-23-27)33-9-3-1-7-31(33)35-11-5-13-37(43(35)41-21-17-29(47)25-51-41)38-14-6-12-36(44(38)42-22-18-30(48)26-52-42)32-8-2-4-10-34(32)40-20-16-28(46)24-50-40/h1-26H.
What are the key properties of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine?
5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 686.71 g/mol, XLogP of 11.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)-3-[2-(5-fluoro-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 155908938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).