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

IUPAC2,6-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
SMILESc1cc(-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
InChIInChI=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
InChIKeyJTSLQAWIPVBRQO-UHFFFAOYSA-N
MW1999.37 g/mol
LogP27.61
Rot. Bonds15

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 Name2,6-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 CID159021193
Molecular FormulaC118H87N25O3S3
Molecular Weight1999.37 g/mol
Exact Mass1997.66
IUPAC Name2,6-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
SMILESc1cc(-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
InChIInChI=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
InChIKeyJTSLQAWIPVBRQO-UHFFFAOYSA-N
XLogP27.61
TPSA359.51 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.37
LogP ≤ 527.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 160496884
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 145033329
1-benzofuran;1-benzothiophene;furo[2,3-b]pyridine;furo[2,3-c]pyridazine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;bis(imidazo[1,2-a]pyrazine);imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;5H-pyrrolo[3,2-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 157053356
bis(1H-benzimidazole);1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine
CID 157054861
bis(1-benzofuran);1-benzothiophene;docosakis(2,2-dimethylpropane);furan;isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methylimidazole;1-methylindole;bis(1-methylpyrrole);1,3-oxazole;phthalazine;pyrazine;pyridazine;bis(pyridine);quinoline;quinoxaline;1,3-thiazole;thiophene
CID 157060136
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,3-dihydro-1H-benzimidazole;4,5-dihydro-1,2-oxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
CID 157067399
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);phthalazine;pyrazine;bis(pyridine);bis(pyrimidine);bis(1H-pyrrole);quinazoline;quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 157121845
benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
CID 157135557

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).