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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole

C153H129F12N15OS3 — CID 158028348

IUPAC2-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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1ccc(-c2ccccc2)n1C(F)(F)F.Cc1ccc(-c2ccccc2)s1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1nnc(-c2ccccc2)o1.Cc1sc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H19N.C17H15N.2C17H14S.C15H13N3.C12H10F3N.2C11H9F3N2.C11H10S.C10H8F3N3.C9H8N2O/c1-18-22(19-11-5-2-6-12-19)17-23(20-13-7-3-8-14-20)24(18)21-15-9-4-10-16-21;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;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-9-7-8-11(16(9)12(13,14)15)10-5-3-2-4-6-10;2*1-8-7-10(9-5-3-2-4-6-9)15-16(8)11(12,13)14;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-14-15-9(16(7)10(11,12)13)8-5-3-2-4-6-8;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-17H,1H3;2-13H,1H3;2*2-12H,1H3;2-11H,1H3;2-8H,1H3;2*2-7H,1H3;2-8H,1H3;2-6H,1H3;2-6H,1H3
InChIKeyFGWJTNAFKFBFQG-UHFFFAOYSA-N
MW2518.00 g/mol
LogP43.70
Rot. Bonds17

About 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole

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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole (PubChem CID 158028348) has the molecular formula C153H129F12N15OS3 and a molecular weight of 2518.00 g/mol. Its IUPAC name is 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole.

Molecular Properties

Compound Name2-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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole
PubChem CID158028348
Molecular FormulaC153H129F12N15OS3
Molecular Weight2518.00 g/mol
Exact Mass2515.95
IUPAC Name2-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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1ccc(-c2ccccc2)n1C(F)(F)F.Cc1ccc(-c2ccccc2)s1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1nnc(-c2ccccc2)o1.Cc1sc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H19N.C17H15N.2C17H14S.C15H13N3.C12H10F3N.2C11H9F3N2.C11H10S.C10H8F3N3.C9H8N2O/c1-18-22(19-11-5-2-6-12-19)17-23(20-13-7-3-8-14-20)24(18)21-15-9-4-10-16-21;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;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-9-7-8-11(16(9)12(13,14)15)10-5-3-2-4-6-10;2*1-8-7-10(9-5-3-2-4-6-9)15-16(8)11(12,13)14;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-14-15-9(16(7)10(11,12)13)8-5-3-2-4-6-8;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-17H,1H3;2-13H,1H3;2*2-12H,1H3;2-11H,1H3;2-8H,1H3;2*2-7H,1H3;2-8H,1H3;2-6H,1H3;2-6H,1H3
InChIKeyFGWJTNAFKFBFQG-UHFFFAOYSA-N
XLogP43.70
TPSA150.77 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002518.00
LogP ≤ 543.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole 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
CID 158870538
CID 158870538
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
6-[3-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]-2-phenylthieno[3,2-c]carbazole;2-phenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]thieno[3,2-c]carbazole;2-phenyl-5-[3-(2-phenylthieno[3,2-c]carbazol-6-yl)phenyl]-1,3,4-oxadiazole
CID 157775926
9-[3-Carbazol-9-yl-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;deuterium monohydride;3-(2,6-difluorophenyl)-4,5-diphenyl-1,2,4-triazole;2-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 158634222
4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-1-phenylpyrrol-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[5-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]thiophen-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 159408826
6-[3-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]thieno[3,2-c]carbazole;6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]thieno[3,2-c]carbazole;2-phenyl-5-(3-thieno[3,2-c]carbazol-6-ylphenyl)-1,3,4-oxadiazole
CID 160232220
4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole;2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;but-2-ene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;ethane;10-methylacridin-10-ium;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole
CID 160650846
CID 162181853
CID 162181853

Frequently Asked Questions

What is the IUPAC name of 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole?
The IUPAC name of 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole (CID 158028348) is 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole.
What is the SMILES notation for 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole?
The canonical SMILES for 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole is Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1ccc(-c2ccccc2)n1C(F)(F)F.Cc1ccc(-c2ccccc2)s1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1nnc(-c2ccccc2)o1.Cc1sc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole?
The InChIKey is FGWJTNAFKFBFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N.C17H15N.2C17H14S.C15H13N3.C12H10F3N.2C11H9F3N2.C11H10S.C10H8F3N3.C9H8N2O/c1-18-22(19-11-5-2-6-12-19)17-23(20-13-7-3-8-14-20)24(18)21-15-9-4-10-16-21;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;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-9-7-8-11(16(9)12(13,14)15)10-5-3-2-4-6-10;2*1-8-7-10(9-5-3-2-4-6-9)15-16(8)11(12,13)14;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-14-15-9(16(7)10(11,12)13)8-5-3-2-4-6-8;1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-17H,1H3;2-13H,1H3;2*2-12H,1H3;2-11H,1H3;2-8H,1H3;2*2-7H,1H3;2-8H,1H3;2-6H,1H3;2-6H,1H3.
What are the key properties of 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole?
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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole has a molecular weight of 2518.00 g/mol, XLogP of 43.70, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;2-methyl-1,3,5-triphenylpyrrole is sourced from PubChem (CID 158028348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).