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

C164H151F3N8O4 — CID 158907417

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(F)c(-c4cc5ccccc5cn4)c3)nc(-c3c(F)ccc(F)c3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc5ccccc5cn4)c3)nc(-c3cc4ccccc4cc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc5ccccc5cn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc4ccccc4cc3O)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C44H40N2O.C40H35F3N2O.2C40H38N2O/c1-43(2,3)36-19-34(20-37(26-36)44(4,5)6)35-23-40(46-41(24-35)38-21-28-12-7-8-14-30(28)25-42(38)47)32-17-11-16-31(18-32)39-22-29-13-9-10-15-33(29)27-45-39;1-39(2,3)28-15-26(16-29(21-28)40(4,5)6)27-19-34(45-36(20-27)37-32(42)13-14-33(43)38(37)46)24-11-12-31(41)30(17-24)35-18-23-9-7-8-10-25(23)22-44-35;1-39(2,3)32-19-30(20-33(24-32)40(4,5)6)31-22-36(42-37(23-31)34-16-9-10-17-38(34)43)28-15-11-14-27(18-28)35-21-26-12-7-8-13-29(26)25-41-35;1-39(2,3)32-19-30(20-33(25-32)40(4,5)6)31-22-36(29-15-11-14-28(18-29)35-16-9-10-17-41-35)42-37(23-31)34-21-26-12-7-8-13-27(26)24-38(34)43/h7-27,47H,1-6H3;7-22,46H,1-6H3;2*7-25,43H,1-6H3
InChIKeyJGFIGEGZYABSCD-UHFFFAOYSA-N
MW2355.06 g/mol
LogP43.96
Rot. Bonds16

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

2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol (PubChem CID 158907417) has the molecular formula C164H151F3N8O4 and a molecular weight of 2355.06 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol
PubChem CID158907417
Molecular FormulaC164H151F3N8O4
Molecular Weight2355.06 g/mol
Exact Mass2353.18
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(F)c(-c4cc5ccccc5cn4)c3)nc(-c3c(F)ccc(F)c3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc5ccccc5cn4)c3)nc(-c3cc4ccccc4cc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc5ccccc5cn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc4ccccc4cc3O)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C44H40N2O.C40H35F3N2O.2C40H38N2O/c1-43(2,3)36-19-34(20-37(26-36)44(4,5)6)35-23-40(46-41(24-35)38-21-28-12-7-8-14-30(28)25-42(38)47)32-17-11-16-31(18-32)39-22-29-13-9-10-15-33(29)27-45-39;1-39(2,3)28-15-26(16-29(21-28)40(4,5)6)27-19-34(45-36(20-27)37-32(42)13-14-33(43)38(37)46)24-11-12-31(41)30(17-24)35-18-23-9-7-8-10-25(23)22-44-35;1-39(2,3)32-19-30(20-33(24-32)40(4,5)6)31-22-36(42-37(23-31)34-16-9-10-17-38(34)43)28-15-11-14-27(18-28)35-21-26-12-7-8-13-29(26)25-41-35;1-39(2,3)32-19-30(20-33(25-32)40(4,5)6)31-22-36(29-15-11-14-28(18-29)35-16-9-10-17-41-35)42-37(23-31)34-21-26-12-7-8-13-27(26)24-38(34)43/h7-27,47H,1-6H3;7-22,46H,1-6H3;2*7-25,43H,1-6H3
InChIKeyJGFIGEGZYABSCD-UHFFFAOYSA-N
XLogP43.96
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.06
LogP ≤ 543.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol (CID 158907417) is 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol is CC(C)(C)c1cc(-c2cc(-c3ccc(F)c(-c4cc5ccccc5cn4)c3)nc(-c3c(F)ccc(F)c3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc5ccccc5cn4)c3)nc(-c3cc4ccccc4cc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4cc5ccccc5cn4)c3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc4ccccc4cc3O)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol?
The InChIKey is JGFIGEGZYABSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2O.C40H35F3N2O.2C40H38N2O/c1-43(2,3)36-19-34(20-37(26-36)44(4,5)6)35-23-40(46-41(24-35)38-21-28-12-7-8-14-30(28)25-42(38)47)32-17-11-16-31(18-32)39-22-29-13-9-10-15-33(29)27-45-39;1-39(2,3)28-15-26(16-29(21-28)40(4,5)6)27-19-34(45-36(20-27)37-32(42)13-14-33(43)38(37)46)24-11-12-31(41)30(17-24)35-18-23-9-7-8-10-25(23)22-44-35;1-39(2,3)32-19-30(20-33(24-32)40(4,5)6)31-22-36(42-37(23-31)34-16-9-10-17-38(34)43)28-15-11-14-27(18-28)35-21-26-12-7-8-13-29(26)25-41-35;1-39(2,3)32-19-30(20-33(25-32)40(4,5)6)31-22-36(29-15-11-14-28(18-29)35-16-9-10-17-41-35)42-37(23-31)34-21-26-12-7-8-13-27(26)24-38(34)43/h7-27,47H,1-6H3;7-22,46H,1-6H3;2*7-25,43H,1-6H3.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol?
2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol has a molecular weight of 2355.06 g/mol, XLogP of 43.96, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-(4-fluoro-3-isoquinolin-3-ylphenyl)-2-pyridinyl]-3,6-difluorophenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]naphthalen-2-ol;2-[4-(3,5-ditert-butylphenyl)-6-(3-isoquinolin-3-ylphenyl)-2-pyridinyl]phenol;3-[4-(3,5-ditert-butylphenyl)-6-(3-pyridin-2-ylphenyl)-2-pyridinyl]naphthalen-2-ol is sourced from PubChem (CID 158907417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).