3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole

C113H114F6N14OS2 — CID 160933825

About 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole

3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole (PubChem CID 160933825) has the molecular formula C113H114F6N14OS2 and a molecular weight of 1862.37 g/mol. Its IUPAC name is 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

• Compound Name: 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole
• PubChem CID: 160933825
• Molecular Formula: C113H114F6N14OS2
• Molecular Weight: 1862.37 g/mol
• Exact Mass: 1860.86
• IUPAC Name: 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole
• SMILES: Cc1cc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(-c2ccccc2)n1.Cc1cc(C)n(C(F)(F)F)n1.Cc1ccc(C)s1.Cc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1nc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F
• InChI: InChI=1S/C18H17N.C17H16N2.C14H13N.C14H12O.C12H12S.C11H12N2.C10H11N3.C6H7F3N2.C6H8S.C5H6F3N3/c1-14-13-18(16-9-5-3-6-10-16)19(15(14)2)17-11-7-4-8-12-17;1-13-14(2)19(16-11-7-4-8-12-16)17(18-13)15-9-5-3-6-10-15;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-4-3-5(2)11(10-4)6(7,8)9;1-5-3-4-6(2)7-5;1-3-9-10-4(2)11(3)5(6,7)8/h3-13H,1-2H3;3-12H,1-2H3;3-8,15H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3
• InChIKey: STPQCTIFWDGZFL-UHFFFAOYSA-N
• XLogP: 31.18
• TPSA: 148.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.37
LogP ≤ 5	31.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole?

The IUPAC name of 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole (CID 160933825) is 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole.

What is the SMILES notation for 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole?

The canonical SMILES for 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole is Cc1cc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(-c2ccccc2)n1.Cc1cc(C)n(C(F)(F)F)n1.Cc1ccc(C)s1.Cc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1nc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F.

What is the InChIKey of 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole?

The InChIKey is STPQCTIFWDGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.C17H16N2.C14H13N.C14H12O.C12H12S.C11H12N2.C10H11N3.C6H7F3N2.C6H8S.C5H6F3N3/c1-14-13-18(16-9-5-3-6-10-16)19(15(14)2)17-11-7-4-8-12-17;1-13-14(2)19(16-11-7-4-8-12-16)17(18-13)15-9-5-3-6-10-15;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-8-12(13-10(9)2)11-6-4-3-5-7-11;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-8-11-12-9(2)13(8)10-6-4-3-5-7-10;1-4-3-5(2)11(10-4)6(7,8)9;1-5-3-4-6(2)7-5;1-3-9-10-4(2)11(3)5(6,7)8/h3-13H,1-2H3;3-12H,1-2H3;3-8,15H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3.

What are the key properties of 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole?

3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 1862.37 g/mol, XLogP of 31.18, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;3,5-dimethyl-1-phenylpyrazole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;2,5-dimethylthiophene;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 160933825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).