2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine

C68H39F7N4 — CID 170522177

IUPAC2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3-c3cc(-c4cc(F)ccc4-c4ccc(-c5ncc(F)cc5F)nc4)cc(-c4cc(F)ccc4-c4cnc(-c5ccccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)cn2)c(F)c1
InChIInChI=1S/C68H39F7N4/c69-49-17-21-54(44-15-25-65(76-36-44)57-24-20-52(72)33-63(57)74)58(30-49)46-27-47(59-31-50(70)18-22-55(59)45-16-26-66(77-37-45)68-64(75)34-53(73)38-79-68)29-48(28-46)60-32-51(71)19-23-56(60)62-39-78-67(43-9-5-2-6-10-43)35-61(62)42-13-11-41(12-14-42)40-7-3-1-4-8-40/h1-39H
InChIKeyHJASMRFSNBMCQA-UHFFFAOYSA-N
MW1045.07 g/mol
LogP18.58
Rot. Bonds11

About 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine

2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine (PubChem CID 170522177) has the molecular formula C68H39F7N4 and a molecular weight of 1045.07 g/mol. Its IUPAC name is 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine.

Molecular Properties

Compound Name2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine
PubChem CID170522177
Molecular FormulaC68H39F7N4
Molecular Weight1045.07 g/mol
Exact Mass1044.31
IUPAC Name2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3-c3cc(-c4cc(F)ccc4-c4ccc(-c5ncc(F)cc5F)nc4)cc(-c4cc(F)ccc4-c4cnc(-c5ccccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)cn2)c(F)c1
InChIInChI=1S/C68H39F7N4/c69-49-17-21-54(44-15-25-65(76-36-44)57-24-20-52(72)33-63(57)74)58(30-49)46-27-47(59-31-50(70)18-22-55(59)45-16-26-66(77-37-45)68-64(75)34-53(73)38-79-68)29-48(28-46)60-32-51(71)19-23-56(60)62-39-78-67(43-9-5-2-6-10-43)35-61(62)42-13-11-41(12-14-42)40-7-3-1-4-8-40/h1-39H
InChIKeyHJASMRFSNBMCQA-UHFFFAOYSA-N
XLogP18.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.07
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine with MolForge

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Related Compounds

5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]benzene-1,3-diol
CID 154679884
2-(4-fluorophenyl)-5-[2-[3-methyl-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-propan-2-ylpyridine
CID 162085107
5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 165148575
5-[4-fluoro-2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 169048456
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
2-[6-(2,4-difluorophenyl)-2-pyridinyl]-3,5-difluoropyridine
CID 58640778
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148303
5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane
CID 158084559

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine?
The IUPAC name of 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine (CID 170522177) is 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine.
What is the SMILES notation for 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine?
The canonical SMILES for 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine is Fc1ccc(-c2ccc(-c3ccc(F)cc3-c3cc(-c4cc(F)ccc4-c4ccc(-c5ncc(F)cc5F)nc4)cc(-c4cc(F)ccc4-c4cnc(-c5ccccc5)cc4-c4ccc(-c5ccccc5)cc4)c3)cn2)c(F)c1.
What is the InChIKey of 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine?
The InChIKey is HJASMRFSNBMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H39F7N4/c69-49-17-21-54(44-15-25-65(76-36-44)57-24-20-52(72)33-63(57)74)58(30-49)46-27-47(59-31-50(70)18-22-55(59)45-16-26-66(77-37-45)68-64(75)34-53(73)38-79-68)29-48(28-46)60-32-51(71)19-23-56(60)62-39-78-67(43-9-5-2-6-10-43)35-61(62)42-13-11-41(12-14-42)40-7-3-1-4-8-40/h1-39H.
What are the key properties of 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine?
2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine has a molecular weight of 1045.07 g/mol, XLogP of 18.58, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]-5-fluorophenyl]-5-[5-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]-4-fluorophenyl]-2-pyridinyl]-3,5-difluoropyridine is sourced from PubChem (CID 170522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).