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

C142H118F3N7O4S — CID 161326216

IUPAC9-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
SMILESCc1cc(-c2ccccc2)oc1-c1ccccc1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1ccc(-c2ccccc2)n1C(F)(F)F.Cc1ccc(-c2ccccc2)o1.Cc1ccc(-c2ccccc2)s1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cc1oc(-c2ccccc2)cc1-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C25H19N.C23H18N2.C17H15N.2C17H14O.C12H10F3N.C11H10O.C11H10S.C9H8N2O/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25-23(24-17)20-15-9-4-10-16-20;1-14-12-13-17(15-8-4-2-5-9-15)18(14)16-10-6-3-7-11-16;1-13-16(14-8-4-2-5-9-14)12-17(18-13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)18-17(13)15-10-6-3-7-11-15;1-9-7-8-11(16(9)12(13,14)15)10-5-3-2-4-6-10;2*1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-17H,1H3;2-16H,1H3;2-13H,1H3;2*2-12H,1H3;2-8H,1H3;2*2-8H,1H3;2-6H,1H3
InChIKeyVKUNJAMJWHCRIO-UHFFFAOYSA-N
MW2075.61 g/mol
LogP39.71
Rot. Bonds15

About 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

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 (PubChem CID 161326216) has the molecular formula C142H118F3N7O4S and a molecular weight of 2075.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID161326216
Molecular FormulaC142H118F3N7O4S
Molecular Weight2075.61 g/mol
Exact Mass2073.89
IUPAC Name9-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
SMILESCc1cc(-c2ccccc2)oc1-c1ccccc1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1ccc(-c2ccccc2)n1C(F)(F)F.Cc1ccc(-c2ccccc2)o1.Cc1ccc(-c2ccccc2)s1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cc1oc(-c2ccccc2)cc1-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C25H19N.C23H18N2.C17H15N.2C17H14O.C12H10F3N.C11H10O.C11H10S.C9H8N2O/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25-23(24-17)20-15-9-4-10-16-20;1-14-12-13-17(15-8-4-2-5-9-15)18(14)16-10-6-3-7-11-16;1-13-16(14-8-4-2-5-9-14)12-17(18-13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)18-17(13)15-10-6-3-7-11-15;1-9-7-8-11(16(9)12(13,14)15)10-5-3-2-4-6-10;2*1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-17H,1H3;2-16H,1H3;2-13H,1H3;2*2-12H,1H3;2-8H,1H3;2*2-8H,1H3;2-6H,1H3
InChIKeyVKUNJAMJWHCRIO-UHFFFAOYSA-N
XLogP39.71
TPSA118.91 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.61
LogP ≤ 539.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Analyze 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 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
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
3-(9-Dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 88878134
5-[4,6-Di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88949815
5-[4-Dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88950428
9-[4-[2-(4-Dibenzofuran-4-ylphenyl)-6-(4-dibenzothiophen-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 117659730
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
4-Dibenzothiophen-4-yl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]furo[2,3-d]pyrimidine
CID 117989965

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccccc2)oc1-c1ccccc1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1ccc(-c2ccccc2)n1C(F)(F)F.Cc1ccc(-c2ccccc2)o1.Cc1ccc(-c2ccccc2)s1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.Cc1nnc(-c2ccccc2)o1.Cc1oc(-c2ccccc2)cc1-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 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?
The InChIKey is VKUNJAMJWHCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.C23H18N2.C17H15N.2C17H14O.C12H10F3N.C11H10O.C11H10S.C9H8N2O/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25-23(24-17)20-15-9-4-10-16-20;1-14-12-13-17(15-8-4-2-5-9-15)18(14)16-10-6-3-7-11-16;1-13-16(14-8-4-2-5-9-14)12-17(18-13)15-10-6-3-7-11-15;1-13-12-16(14-8-4-2-5-9-14)18-17(13)15-10-6-3-7-11-15;1-9-7-8-11(16(9)12(13,14)15)10-5-3-2-4-6-10;2*1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-17H,1H3;2-16H,1H3;2-13H,1H3;2*2-12H,1H3;2-8H,1H3;2*2-8H,1H3;2-6H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2075.61 g/mol, XLogP of 39.71, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161326216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).