4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline

C128H90F7N19OS — CID 158849364

IUPAC4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline
SMILESCOc1cc(-c2cc3ccccc3s2)c(C)cc1-c1ccncc1.Cc1cc(-c2ccncc2)c(C(F)(F)F)cc1-c1ccnc2ccccc12.Cc1cc(-c2cnccn2)c(C)cc1-c1ccncc1.Cc1nccc(-c2c(F)c(F)c(-c3ccncc3)c(F)c2F)n1.[C-]#[N+]c1cc(-c2ccncc2)c(C#N)cc1-c1cccnn1.c1ccc2c(-c3ccc(-c4ccncc4)cc3)ccnc2c1.c1cnc(-c2ccc(-c3ccncc3)cc2)nc1
InChIInChI=1S/C22H15F3N2.C21H17NOS.C20H14N2.C17H9N5.C17H15N3.C16H9F4N3.C15H11N3/c1-14-12-19(15-6-9-26-10-7-15)20(22(23,24)25)13-18(14)16-8-11-27-21-5-3-2-4-17(16)21;1-14-11-18(15-7-9-22-10-8-15)19(23-2)13-17(14)21-12-16-5-3-4-6-20(16)24-21;1-2-4-20-19(3-1)18(11-14-22-20)17-7-5-15(6-8-17)16-9-12-21-13-10-16;1-19-17-10-14(12-4-7-20-8-5-12)13(11-18)9-15(17)16-3-2-6-21-22-16;1-12-10-16(17-11-19-7-8-20-17)13(2)9-15(12)14-3-5-18-6-4-14;1-8-22-7-4-10(23-8)12-15(19)13(17)11(14(18)16(12)20)9-2-5-21-6-3-9;1-8-17-15(18-9-1)14-4-2-12(3-5-14)13-6-10-16-11-7-13/h2-13H,1H3;3-13H,1-2H3;1-14H;2-10H;3-11H,1-2H3;2-7H,1H3;1-11H
InChIKeyIZGCOBZYTFEFJO-UHFFFAOYSA-N
MW2075.31 g/mol
LogP31.93
Rot. Bonds15

About 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline

4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline (PubChem CID 158849364) has the molecular formula C128H90F7N19OS and a molecular weight of 2075.31 g/mol. Its IUPAC name is 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline.

Molecular Properties

Compound Name4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline
PubChem CID158849364
Molecular FormulaC128H90F7N19OS
Molecular Weight2075.31 g/mol
Exact Mass2073.72
IUPAC Name4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline
SMILESCOc1cc(-c2cc3ccccc3s2)c(C)cc1-c1ccncc1.Cc1cc(-c2ccncc2)c(C(F)(F)F)cc1-c1ccnc2ccccc12.Cc1cc(-c2cnccn2)c(C)cc1-c1ccncc1.Cc1nccc(-c2c(F)c(F)c(-c3ccncc3)c(F)c2F)n1.[C-]#[N+]c1cc(-c2ccncc2)c(C#N)cc1-c1cccnn1.c1ccc2c(-c3ccc(-c4ccncc4)cc3)ccnc2c1.c1cnc(-c2ccc(-c3ccncc3)cc2)nc1
InChIInChI=1S/C22H15F3N2.C21H17NOS.C20H14N2.C17H9N5.C17H15N3.C16H9F4N3.C15H11N3/c1-14-12-19(15-6-9-26-10-7-15)20(22(23,24)25)13-18(14)16-8-11-27-21-5-3-2-4-17(16)21;1-14-11-18(15-7-9-22-10-8-15)19(23-2)13-17(14)21-12-16-5-3-4-6-20(16)24-21;1-2-4-20-19(3-1)18(11-14-22-20)17-7-5-15(6-8-17)16-9-12-21-13-10-16;1-19-17-10-14(12-4-7-20-8-5-12)13(11-18)9-15(17)16-3-2-6-21-22-16;1-12-10-16(17-11-19-7-8-20-17)13(2)9-15(12)14-3-5-18-6-4-14;1-8-22-7-4-10(23-8)12-15(19)13(17)11(14(18)16(12)20)9-2-5-21-6-3-9;1-8-17-15(18-9-1)14-4-2-12(3-5-14)13-6-10-16-11-7-13/h2-13H,1H3;3-13H,1-2H3;1-14H;2-10H;3-11H,1-2H3;2-7H,1H3;1-11H
InChIKeyIZGCOBZYTFEFJO-UHFFFAOYSA-N
XLogP31.93
TPSA256.51 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.31
LogP ≤ 531.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline with MolForge

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Related Compounds

3-(5-methoxy-2-methylphenyl)-2-methylbenzo[g][1,2,4]benzotriazin-2-ium;2-methyl-3-(2-methylphenyl)-8-(trifluoromethyl)benzo[g][1,2,4]benzotriazin-2-ium;2-methyl-3-(1-methyl-4-thiophen-2-ylnaphthalen-2-yl)benzo[g][1,2,4]benzotriazin-2-ium;N,N,4-trimethyl-3-(2-methylbenzo[g][1,2,4]benzotriazin-2-ium-3-yl)naphthalen-1-amine
CID 160769703
2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-[3-(4-fluorophenyl)naphthalen-2-yl]pyridine;2-[2-(2-isocyanophenyl)phenyl]-3-methylpyridine;2-[3-(4-methoxyphenyl)naphthalen-2-yl]pyridine;2-[3-(4-methylphenyl)naphthalen-2-yl]pyridine;3-methyl-2-[2-(4-phenylphenyl)phenyl]pyridine;10-naphthalen-2-ylbenzo[h]quinoline;4-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-amine;2-(2,3,4,5,6-pentapyridin-2-ylphenyl)pyridine;2-(2-pyridin-2-ylphenyl)pyridine
CID 158623887
3-(3,5-Dimethoxy-2-methylphenyl)-2-methylbenzo[g]cinnolin-2-ium;3-methyl-2-(5-methyl-1-benzothiophen-4-yl)benzo[g]quinazolin-3-ium;2-methyl-3-(2-methylphenyl)benzo[g]cinnolin-2-ium;2-methyl-3-(2,3,5-trimethylphenyl)benzo[g]cinnolin-2-ium
CID 159814091
2-(3-Fluoro-2,4-dimethylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;methane;3-(3-methyl-4-phenylphenyl)pyridine;3-[3-methyl-4-(triazol-2-yl)phenyl]benzonitrile
CID 160565873
3-Tert-butylcinnoline;6-tert-butylcinnoline;6-tert-butyl-7-fluoroquinoxaline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;bis(8-tert-butylquinoline);2-tert-butylquinoxaline
CID 168421956

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline?
The IUPAC name of 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline (CID 158849364) is 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline.
What is the SMILES notation for 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline?
The canonical SMILES for 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline is COc1cc(-c2cc3ccccc3s2)c(C)cc1-c1ccncc1.Cc1cc(-c2ccncc2)c(C(F)(F)F)cc1-c1ccnc2ccccc12.Cc1cc(-c2cnccn2)c(C)cc1-c1ccncc1.Cc1nccc(-c2c(F)c(F)c(-c3ccncc3)c(F)c2F)n1.[C-]#[N+]c1cc(-c2ccncc2)c(C#N)cc1-c1cccnn1.c1ccc2c(-c3ccc(-c4ccncc4)cc3)ccnc2c1.c1cnc(-c2ccc(-c3ccncc3)cc2)nc1.
What is the InChIKey of 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline?
The InChIKey is IZGCOBZYTFEFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2.C21H17NOS.C20H14N2.C17H9N5.C17H15N3.C16H9F4N3.C15H11N3/c1-14-12-19(15-6-9-26-10-7-15)20(22(23,24)25)13-18(14)16-8-11-27-21-5-3-2-4-17(16)21;1-14-11-18(15-7-9-22-10-8-15)19(23-2)13-17(14)21-12-16-5-3-4-6-20(16)24-21;1-2-4-20-19(3-1)18(11-14-22-20)17-7-5-15(6-8-17)16-9-12-21-13-10-16;1-19-17-10-14(12-4-7-20-8-5-12)13(11-18)9-15(17)16-3-2-6-21-22-16;1-12-10-16(17-11-19-7-8-20-17)13(2)9-15(12)14-3-5-18-6-4-14;1-8-22-7-4-10(23-8)12-15(19)13(17)11(14(18)16(12)20)9-2-5-21-6-3-9;1-8-17-15(18-9-1)14-4-2-12(3-5-14)13-6-10-16-11-7-13/h2-13H,1H3;3-13H,1-2H3;1-14H;2-10H;3-11H,1-2H3;2-7H,1H3;1-11H.
What are the key properties of 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline?
4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline has a molecular weight of 2075.31 g/mol, XLogP of 31.93, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzothiophen-2-yl)-2-methoxy-5-methylphenyl]pyridine;2-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyrazine;4-isocyano-5-pyridazin-3-yl-2-pyridin-4-ylbenzonitrile;4-[2-methyl-4-pyridin-4-yl-5-(trifluoromethyl)phenyl]quinoline;2-methyl-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)pyrimidine;2-(4-pyridin-4-ylphenyl)pyrimidine;4-(4-pyridin-4-ylphenyl)quinoline is sourced from PubChem (CID 158849364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).