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

C125H123F6N11OS2 — CID 158200578

IUPAC2,8-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
SMILESCc1cc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(C(F)(F)F)n1.Cc1ccc(C)s1.Cc1ccc2c(c1)C(C)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1nc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F
InChIInChI=1S/C22H20.C18H17N.C17H16N2.C15H14.C14H12O.C12H12S.C10H11N3.C6H7F3N2.C6H8S.C5H6F3N3/c1-15-9-11-18-19-12-10-16(2)14-21(19)22(3,20(18)13-15)17-7-5-4-6-8-17;1-14-13-18(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;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;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;1-8-11-12-9(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/h4-14H,1-3H3;3-13H,1-2H3;3-12H,1-2H3;3-8H,9H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyGAWOSEGIDUXYRL-UHFFFAOYSA-N
MW1973.56 g/mol
LogP34.26
Rot. Bonds7

About 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

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 (PubChem CID 158200578) has the molecular formula C125H123F6N11OS2 and a molecular weight of 1973.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,8-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
PubChem CID158200578
Molecular FormulaC125H123F6N11OS2
Molecular Weight1973.56 g/mol
Exact Mass1971.93
IUPAC Name2,8-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
SMILESCc1cc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(C(F)(F)F)n1.Cc1ccc(C)s1.Cc1ccc2c(c1)C(C)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1nc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F
InChIInChI=1S/C22H20.C18H17N.C17H16N2.C15H14.C14H12O.C12H12S.C10H11N3.C6H7F3N2.C6H8S.C5H6F3N3/c1-15-9-11-18-19-12-10-16(2)14-21(19)22(3,20(18)13-15)17-7-5-4-6-8-17;1-14-13-18(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;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;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;1-8-11-12-9(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/h4-14H,1-3H3;3-13H,1-2H3;3-12H,1-2H3;3-8H,9H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyGAWOSEGIDUXYRL-UHFFFAOYSA-N
XLogP34.26
TPSA115.13 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.56
LogP ≤ 534.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 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
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
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
4-(7-Methyl-9,9-dioctylfluoren-2-yl)-6-[7-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345550
4-(7-Methyl-9,9-dioctylfluoren-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345767
3-Dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 126632299
2-[6-(11,11-Dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-9-phenylcarbazol-3-yl]-5-[4-[3-[4-[2-[8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)dibenzothiophen-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]carbazol-11-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-11-phenylindolo[3,2-b]carbazole
CID 152991063
4-dibenzofuran-4-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-dibenzothiophen-4-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;N,4-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-naphthalen-1-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-phenanthren-9-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-triphenylen-2-ylaniline
CID 157065745

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1cc(-c2ccccc2)sc1C.Cc1cc(C)n(C(F)(F)F)n1.Cc1ccc(C)s1.Cc1ccc2c(c1)C(C)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1nc(-c2ccccc2)n(-c2ccccc2)c1C.Cc1nnc(C)n1-c1ccccc1.Cc1nnc(C)n1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is GAWOSEGIDUXYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20.C18H17N.C17H16N2.C15H14.C14H12O.C12H12S.C10H11N3.C6H7F3N2.C6H8S.C5H6F3N3/c1-15-9-11-18-19-12-10-16(2)14-21(19)22(3,20(18)13-15)17-7-5-4-6-8-17;1-14-13-18(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;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;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;1-8-11-12-9(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/h4-14H,1-3H3;3-13H,1-2H3;3-12H,1-2H3;3-8H,9H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1973.56 g/mol, XLogP of 34.26, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158200578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).