2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol

C143H140F3N9O4 — CID 160642770

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(F)c(-c4ccccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3c(F)ccc(F)c3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ncccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C36H34F2N2O.C36H35FN2O.C36H36N2O.C35H35N3O/c1-35(2,3)26-17-24(18-27(21-26)36(4,5)6)25-19-31(23-11-9-10-22(16-23)30-12-7-8-15-39-30)40-32(20-25)33-28(37)13-14-29(38)34(33)41;1-35(2,3)26-17-24(18-27(22-26)36(4,5)6)25-20-32(39-33(21-25)28-11-7-8-13-34(28)40)23-14-15-30(37)29(19-23)31-12-9-10-16-38-31;1-35(2,3)28-19-26(20-29(23-28)36(4,5)6)27-21-32(38-33(22-27)30-14-7-8-16-34(30)39)25-13-11-12-24(18-25)31-15-9-10-17-37-31;1-34(2,3)27-18-25(19-28(22-27)35(4,5)6)26-20-30(38-31(21-26)29-13-7-8-14-32(29)39)23-11-9-12-24(17-23)33-36-15-10-16-37-33/h7-21,41H,1-6H3;7-22,40H,1-6H3;7-23,39H,1-6H3;7-22,39H,1-6H3
InChIKeyRJJWYKGTAYQKNW-UHFFFAOYSA-N
MW2105.75 g/mol
LogP37.59
Rot. Bonds16

About 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol

2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol (PubChem CID 160642770) has the molecular formula C143H140F3N9O4 and a molecular weight of 2105.75 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol
PubChem CID160642770
Molecular FormulaC143H140F3N9O4
Molecular Weight2105.75 g/mol
Exact Mass2104.10
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(F)c(-c4ccccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3c(F)ccc(F)c3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ncccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C36H34F2N2O.C36H35FN2O.C36H36N2O.C35H35N3O/c1-35(2,3)26-17-24(18-27(21-26)36(4,5)6)25-19-31(23-11-9-10-22(16-23)30-12-7-8-15-39-30)40-32(20-25)33-28(37)13-14-29(38)34(33)41;1-35(2,3)26-17-24(18-27(22-26)36(4,5)6)25-20-32(39-33(21-25)28-11-7-8-13-34(28)40)23-14-15-30(37)29(19-23)31-12-9-10-16-38-31;1-35(2,3)28-19-26(20-29(23-28)36(4,5)6)27-21-32(38-33(22-27)30-14-7-8-16-34(30)39)25-13-11-12-24(18-25)31-15-9-10-17-37-31;1-34(2,3)27-18-25(19-28(22-27)35(4,5)6)26-20-30(38-31(21-26)29-13-7-8-14-32(29)39)23-11-9-12-24(17-23)33-36-15-10-16-37-33/h7-21,41H,1-6H3;7-22,40H,1-6H3;7-23,39H,1-6H3;7-22,39H,1-6H3
InChIKeyRJJWYKGTAYQKNW-UHFFFAOYSA-N
XLogP37.59
TPSA196.93 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002105.75
LogP ≤ 537.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

2-({3-[5-(2-Methylphenyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}methyl)phenol
CID 45166660
4-[3-[4-[3-[[Ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol
CID 58199803
2-[4-(3,5-Ditert-butylphenyl)-6-(2,6-difluoro-5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]phenol
CID 136012905
2-[4-(3,5-ditert-butylphenyl)-6-[2,6-difluoro-5-(N-pyridin-2-ylanilino)-3-pyridinyl]-2-pyridinyl]phenol
CID 136600897
2-[4-(3,5-ditert-butylphenyl)-6-[3-(2,3,4,5,6-pentafluoro-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 136600913
2-[4-(3,5-ditert-butylphenyl)-6-[3-fluoro-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 136600919
2-[6-[3-tert-butyl-5-(N-(4-fluoro-2-pyridinyl)anilino)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600921
2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4-fluorophenol
CID 136600923
2-[4-(3,5-ditert-butylphenyl)-6-[2,4-difluoro-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 136600925
2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-(4-fluoro-2-pyridinyl)anilino)phenyl]-2-pyridinyl]phenol
CID 136600927
4-[2-[[4-[3-[[[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-piperazin-1-ylmethyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292662
4-[2-[[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-(2-ethyl-4-methylpiperazin-1-yl)methyl]-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292877

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol (CID 160642770) is 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccc(F)c(-c4ccccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3c(F)ccc(F)c3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ncccn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol?
The InChIKey is RJJWYKGTAYQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N2O.C36H35FN2O.C36H36N2O.C35H35N3O/c1-35(2,3)26-17-24(18-27(21-26)36(4,5)6)25-19-31(23-11-9-10-22(16-23)30-12-7-8-15-39-30)40-32(20-25)33-28(37)13-14-29(38)34(33)41;1-35(2,3)26-17-24(18-27(22-26)36(4,5)6)25-20-32(39-33(21-25)28-11-7-8-13-34(28)40)23-14-15-30(37)29(19-23)31-12-9-10-16-38-31;1-35(2,3)28-19-26(20-29(23-28)36(4,5)6)27-21-32(38-33(22-27)30-14-7-8-16-34(30)39)25-13-11-12-24(18-25)31-15-9-10-17-37-31;1-34(2,3)27-18-25(19-28(22-27)35(4,5)6)26-20-30(38-31(21-26)29-13-7-8-14-32(29)39)23-11-9-12-24(17-23)33-36-15-10-16-37-33/h7-21,41H,1-6H3;7-22,40H,1-6H3;7-23,39H,1-6H3;7-22,39H,1-6H3.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol?
2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol has a molecular weight of 2105.75 g/mol, XLogP of 37.59, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-(3-pyrimidin-2-ylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 160642770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).