4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline

C139H114N10O2S2 — CID 158863869

IUPAC4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline
SMILESCOc1ccc(-c2cc(-c3cc4ccccc4cn3)nc(-c3cc4ccccc4cc3C)c2)cc1.COc1ccc(-c2cc(-c3ccccn3)nc(-c3sccc3C)c2)cc1.Cc1cc2ccccc2cc1-c1cc(-c2ccccc2)cc(-c2cc3ccccc3cn2)n1.Cc1cc2ccccc2cc1-c1cccc(-c2cc3ccccc3cn2)n1.Cc1ccsc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C32H24N2O.C31H22N2.C29H32N2S.C25H18N2.C22H18N2OS/c1-21-15-23-7-3-4-8-24(23)16-29(21)30-18-27(22-11-13-28(35-2)14-12-22)19-32(34-30)31-17-25-9-5-6-10-26(25)20-33-31;1-21-15-23-11-5-6-12-24(23)16-28(21)29-18-27(22-9-3-2-4-10-22)19-31(33-29)30-17-25-13-7-8-14-26(25)20-32-30;1-19-11-13-32-27(19)26-17-21(16-25(31-26)24-10-8-9-12-30-24)20-14-22(28(2,3)4)18-23(15-20)29(5,6)7;1-17-13-18-7-2-3-8-19(18)14-22(17)23-11-6-12-24(27-23)25-15-20-9-4-5-10-21(20)16-26-25;1-15-10-12-26-22(15)21-14-17(16-6-8-18(25-2)9-7-16)13-20(24-21)19-5-3-4-11-23-19/h3-20H,1-2H3;2-20H,1H3;8-18H,1-7H3;2-16H,1H3;3-14H,1-2H3
InChIKeyJAZCUCGMMCUMNQ-UHFFFAOYSA-N
MW2020.64 g/mol
LogP36.92
Rot. Bonds16

About 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline

4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline (PubChem CID 158863869) has the molecular formula C139H114N10O2S2 and a molecular weight of 2020.64 g/mol. Its IUPAC name is 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline
PubChem CID158863869
Molecular FormulaC139H114N10O2S2
Molecular Weight2020.64 g/mol
Exact Mass2018.86
IUPAC Name4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline
SMILESCOc1ccc(-c2cc(-c3cc4ccccc4cn3)nc(-c3cc4ccccc4cc3C)c2)cc1.COc1ccc(-c2cc(-c3ccccn3)nc(-c3sccc3C)c2)cc1.Cc1cc2ccccc2cc1-c1cc(-c2ccccc2)cc(-c2cc3ccccc3cn2)n1.Cc1cc2ccccc2cc1-c1cccc(-c2cc3ccccc3cn2)n1.Cc1ccsc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C32H24N2O.C31H22N2.C29H32N2S.C25H18N2.C22H18N2OS/c1-21-15-23-7-3-4-8-24(23)16-29(21)30-18-27(22-11-13-28(35-2)14-12-22)19-32(34-30)31-17-25-9-5-6-10-26(25)20-33-31;1-21-15-23-11-5-6-12-24(23)16-28(21)29-18-27(22-9-3-2-4-10-22)19-31(33-29)30-17-25-13-7-8-14-26(25)20-32-30;1-19-11-13-32-27(19)26-17-21(16-25(31-26)24-10-8-9-12-30-24)20-14-22(28(2,3)4)18-23(15-20)29(5,6)7;1-17-13-18-7-2-3-8-19(18)14-22(17)23-11-6-12-24(27-23)25-15-20-9-4-5-10-21(20)16-26-25;1-15-10-12-26-22(15)21-14-17(16-6-8-18(25-2)9-7-16)13-20(24-21)19-5-3-4-11-23-19/h3-20H,1-2H3;2-20H,1H3;8-18H,1-7H3;2-16H,1H3;3-14H,1-2H3
InChIKeyJAZCUCGMMCUMNQ-UHFFFAOYSA-N
XLogP36.92
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.64
LogP ≤ 536.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline?
The IUPAC name of 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline (CID 158863869) is 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline.
What is the SMILES notation for 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline?
The canonical SMILES for 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline is COc1ccc(-c2cc(-c3cc4ccccc4cn3)nc(-c3cc4ccccc4cc3C)c2)cc1.COc1ccc(-c2cc(-c3ccccn3)nc(-c3sccc3C)c2)cc1.Cc1cc2ccccc2cc1-c1cc(-c2ccccc2)cc(-c2cc3ccccc3cn2)n1.Cc1cc2ccccc2cc1-c1cccc(-c2cc3ccccc3cn2)n1.Cc1ccsc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccccn2)n1.
What is the InChIKey of 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline?
The InChIKey is JAZCUCGMMCUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O.C31H22N2.C29H32N2S.C25H18N2.C22H18N2OS/c1-21-15-23-7-3-4-8-24(23)16-29(21)30-18-27(22-11-13-28(35-2)14-12-22)19-32(34-30)31-17-25-9-5-6-10-26(25)20-33-31;1-21-15-23-11-5-6-12-24(23)16-28(21)29-18-27(22-9-3-2-4-10-22)19-31(33-29)30-17-25-13-7-8-14-26(25)20-32-30;1-19-11-13-32-27(19)26-17-21(16-25(31-26)24-10-8-9-12-30-24)20-14-22(28(2,3)4)18-23(15-20)29(5,6)7;1-17-13-18-7-2-3-8-19(18)14-22(17)23-11-6-12-24(27-23)25-15-20-9-4-5-10-21(20)16-26-25;1-15-10-12-26-22(15)21-14-17(16-6-8-18(25-2)9-7-16)13-20(24-21)19-5-3-4-11-23-19/h3-20H,1-2H3;2-20H,1H3;8-18H,1-7H3;2-16H,1H3;3-14H,1-2H3.
What are the key properties of 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline?
4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline has a molecular weight of 2020.64 g/mol, XLogP of 36.92, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-ditert-butylphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[4-(4-methoxyphenyl)-6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline;4-(4-methoxyphenyl)-2-(3-methylthiophen-2-yl)-6-pyridin-2-ylpyridine;3-[6-(3-methylnaphthalen-2-yl)-4-phenyl-2-pyridinyl]isoquinoline;3-[6-(3-methylnaphthalen-2-yl)-2-pyridinyl]isoquinoline is sourced from PubChem (CID 158863869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).