2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine

C₁₁₈H₈₇N₂₅O₃S₃ — CID 159021193

About 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine

2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine (PubChem CID 159021193) has the molecular formula C₁₁₈H₈₇N₂₅O₃S₃ and a molecular weight of 1999.37 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine
• PubChem CID: 159021193
• Molecular Formula: C₁₁₈H₈₇N₂₅O₃S₃
• Molecular Weight: 1999.37 g/mol
• Exact Mass: 1997.66
• IUPAC Name: 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine
• SMILES: c1cc(-c2cccc(-c3nnco3)n2)nc(-c2nnco2)c1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-n2cnc3ccccc32)cc1.c1cnc(-c2ncccn2)nc1.c1csc(-c2cccs2)c1
• InChI: InChI=1S/C18H12N6.C15H11N3.C14H8N6O2.C13H10N2.C12H9N3.C10H9N.C10H8O.C10H8S.C8H6N4.C8H6S2/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9(17-11(5-1)13-19-15-7-21-13)10-4-2-6-12(18-10)14-20-16-8-22-14;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;3*1-2-5-9(6-3-1)10-7-4-8-11-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-3-7(9-5-1)8-4-2-6-10-8/h1-12H;1-11H;1-8H;1-10H;1-8H,(H,14,15);1-8,11H;2*1-8H;1-6H;1-6H
• InChIKey: JTSLQAWIPVBRQO-UHFFFAOYSA-N
• XLogP: 27.61
• TPSA: 359.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.37
LogP ≤ 5	27.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine?

The IUPAC name of 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine (CID 159021193) is 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine.

What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine?

The canonical SMILES for 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine is c1cc(-c2cccc(-c3nnco3)n2)nc(-c2nnco2)c1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-n2cnc3ccccc32)cc1.c1cnc(-c2ncccn2)nc1.c1csc(-c2cccs2)c1.

What is the InChIKey of 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine?

The InChIKey is JTSLQAWIPVBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6.C15H11N3.C14H8N6O2.C13H10N2.C12H9N3.C10H9N.C10H8O.C10H8S.C8H6N4.C8H6S2/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9(17-11(5-1)13-19-15-7-21-13)10-4-2-6-12(18-10)14-20-16-8-22-14;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;3*1-2-5-9(6-3-1)10-7-4-8-11-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-3-7(9-5-1)8-4-2-6-10-8/h1-12H;1-11H;1-8H;1-10H;1-8H,(H,14,15);1-8,11H;2*1-8H;1-6H;1-6H.

What are the key properties of 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine?

2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine has a molecular weight of 1999.37 g/mol, XLogP of 27.61, 15 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dipyridin-2-ylpyridine;2-[6-[6-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]-2-pyridinyl]-1,3,4-oxadiazole;1-phenylbenzimidazole;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;2-pyridin-2-yl-1H-benzimidazole;2-pyrimidin-2-ylpyrimidine;2-thiophen-2-ylthiophene;2,4,6-tripyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 159021193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159021193 — identifiers, structure, computed properties (public domain)

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