tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine

C184H182F3N39O2S — CID 160668527

About tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine

tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine (PubChem CID 160668527) has the molecular formula C184H182F3N39O2S and a molecular weight of 3060.81 g/mol. Its IUPAC name is tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
• PubChem CID: 160668527
• Molecular Formula: C184H182F3N39O2S
• Molecular Weight: 3060.81 g/mol
• Exact Mass: 3058.50
• IUPAC Name: tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
• SMILES: CC.CC.CC(C)(C)c1ccncc1.CC1(C)c2ccccc2C=Nc2ccccc21.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C)c1.FC(F)(F)c1cccnc1.O=c1[nH]cc[nH]1.O=c1ncc2ccccc2n1-c1ccccc1.c1c[nH]cn1.c1ccc(-c2ccncc2)cc1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)cnc1ccccc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cscn1.c1nc[nH]n1.c1ncncn1
• InChI: InChI=1S/C16H15N.C14H10N2O.C13H9N.C11H9N.3C9H7N.C9H13N.4C7H6N2.C7H9N.C7H8.C6H4F3N.2C6H7N.C5H5N.2C4H4N2.C3H3N3.C3H4N2O.2C3H4N2.C3H3NS.C2H3N3.2C2H6/c1-16(2)13-8-4-3-7-12(13)11-17-15-10-6-5-9-14(15)16;17-14-15-10-11-6-4-5-9-13(11)16(14)12-7-2-1-3-8-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-9(2,3)8-4-6-10-7-5-8;4*1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-7-5-3-2-4-6-7;7-6(8,9)5-2-1-3-10-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2/h3-11H,1-2H3;1-10H;1-9H;1-9H;3*1-7H;4-7H,1-3H3;4*1-5H,(H,8,9);3-5H,1-2H3;2-6H,1H3;1-4H;2*2-5H,1H3;1-5H;2*1-4H;1-3H;1-2H,(H2,4,5,6);2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5);2*1-2H3
• InChIKey: RMPZFFNEXSYCKS-UHFFFAOYSA-N
• XLogP: 41.94
• TPSA: 554.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 2
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3060.81
LogP ≤ 5	41.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine?

The IUPAC name of tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine (CID 160668527) is tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine.

What is the SMILES notation for tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine?

The canonical SMILES for tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine is CC.CC.CC(C)(C)c1ccncc1.CC1(C)c2ccccc2C=Nc2ccccc21.Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C)c1.FC(F)(F)c1cccnc1.O=c1[nH]cc[nH]1.O=c1ncc2ccccc2n1-c1ccccc1.c1c[nH]cn1.c1ccc(-c2ccncc2)cc1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)cnc1ccccc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cscn1.c1nc[nH]n1.c1ncncn1.

What is the InChIKey of tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine?

The InChIKey is RMPZFFNEXSYCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C14H10N2O.C13H9N.C11H9N.3C9H7N.C9H13N.4C7H6N2.C7H9N.C7H8.C6H4F3N.2C6H7N.C5H5N.2C4H4N2.C3H3N3.C3H4N2O.2C3H4N2.C3H3NS.C2H3N3.2C2H6/c1-16(2)13-8-4-3-7-12(13)11-17-15-10-6-5-9-14(15)16;17-14-15-10-11-6-4-5-9-13(11)16(14)12-7-2-1-3-8-12;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-9(2,3)8-4-6-10-7-5-8;4*1-2-4-7-6(3-1)8-5-9-7;1-6-3-7(2)5-8-4-6;1-7-5-3-2-4-6-7;7-6(8,9)5-2-1-3-10-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;6-3-4-1-2-5-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2/h3-11H,1-2H3;1-10H;1-9H;1-9H;3*1-7H;4-7H,1-3H3;4*1-5H,(H,8,9);3-5H,1-2H3;2-6H,1H3;1-4H;2*2-5H,1H3;1-5H;2*1-4H;1-3H;1-2H,(H2,4,5,6);2*1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5);2*1-2H3.

What are the key properties of tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine?

tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine has a molecular weight of 3060.81 g/mol, XLogP of 41.94, 2 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine is sourced from PubChem (CID 160668527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).