3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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

C96H98F6N12OS2 — CID 159934782

IUPAC3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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
SMILESCc1cc(-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.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F
InChIInChI=1S/C18H17N.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;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;3-8,15H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyOACGURCSVFMUKF-UHFFFAOYSA-N
MW1614.04 g/mol
LogP27.02
Rot. Bonds5

About 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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;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 159934782) has the molecular formula C96H98F6N12OS2 and a molecular weight of 1614.04 g/mol. Its IUPAC name is 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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 Name3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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 CID159934782
Molecular FormulaC96H98F6N12OS2
Molecular Weight1614.04 g/mol
Exact Mass1612.73
IUPAC Name3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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
SMILESCc1cc(-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.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F
InChIInChI=1S/C18H17N.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;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;3-8,15H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyOACGURCSVFMUKF-UHFFFAOYSA-N
XLogP27.02
TPSA130.92 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.04
LogP ≤ 527.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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 with MolForge

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Related Compounds

2,5-Dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
CID 157075972
2-Methyl-3,5-diphenylfuran;3-methyl-2,5-diphenylfuran;5-methyl-1,3-diphenylpyrazole;2-methyl-1,5-diphenylpyrrole;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenylthiophene;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole
CID 157328846
2,8-dimethyldibenzofuran;2,7-dimethyl-9,9-diphenylfluorene;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;2,7-dimethyl-9H-fluorene;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 157887919
2,8-dimethyldibenzofuran;4,5-dimethyl-1,2-diphenylimidazole;2,3-dimethyl-1,5-diphenylpyrrole;2,7-dimethyl-9H-fluorene;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;2,7,9-trimethyl-9-phenylfluorene
CID 158200578
3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;(2,3-dimethyl-5-phenylcyclopenta-2,4-dien-1-yl)benzene;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 160029894
2,5-Dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;3,5-dimethyl-1-phenylpyrazole;2,5-dimethyl-1-phenylpyrrole;2,3-dimethyl-5-phenylthiophene;3,5-dimethyl-4-phenyl-1,2,4-triazole;3,5-dimethyl-1-(trifluoromethyl)pyrazole;3,5-dimethyl-4-(trifluoromethyl)-1,2,4-triazole;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole
CID 160547965
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
9-Methyl-3,6-diphenylcarbazole;2-methyl-3,5-diphenylfuran;3-methyl-2,5-diphenylfuran;2-methyl-1,5-diphenylpyrrole;2-methyl-5-phenylfuran;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-5-phenylthiophene;2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;4-methyl-2,5,6-triphenylpyrimidine
CID 161326216
5-[3,5-Bis(6,9-diphenylcarbazol-3-yl)phenyl]-11-[2-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-6-phenylpyrimidin-4-yl]indolo[3,2-b]carbazole
CID 117862915
11-[4-[6-[4-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 121444274
11-[4-[2-[3-[3,6-Bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 126632842
N'-[(Z)-1,3-di(dibenzofuran-2-yl)prop-1-enyl]-1-[12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazol-5-yl]-N-methylmethanediamine
CID 129209966

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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;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 159934782) is 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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;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;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.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F.
What is the InChIKey of 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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 OACGURCSVFMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.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;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;3-8,15H,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;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;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 1614.04 g/mol, XLogP of 27.02, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9H-carbazole;2,8-dimethyldibenzofuran;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 159934782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).