5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole

C145H122F9N13S2 — CID 159149953

IUPAC5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole
SMILESCC1=CC(c2ccccc2)=CC1C(F)(F)F.Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1cc(N)c(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1sc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H19N.C22H18N2.C17H16N2.2C17H14S.C15H13N3.C13H11F3.C11H9F3N2.C10H8F3N3/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;1-17-21(18-11-5-2-6-12-18)23-22(19-13-7-3-8-14-19)24(17)20-15-9-4-10-16-20;1-13-12-16(18)17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15;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;1-9-7-11(8-12(9)13(14,15)16)10-5-3-2-4-6-10;1-8-7-10(9-5-3-2-4-6-9)15-16(8)11(12,13)14;1-7-14-15-9(16(7)10(11,12)13)8-5-3-2-4-6-8/h2-17H,1H3;2-16H,1H3;2-12H,18H2,1H3;2*2-12H,1H3;2-11H,1H3;2-8,12H,1H3;2-7H,1H3;2-6H,1H3
InChIKeyKJDOEOLMSBBOLX-UHFFFAOYSA-N
MW2281.78 g/mol
LogP39.97
Rot. Bonds17

About 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole

5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole (PubChem CID 159149953) has the molecular formula C145H122F9N13S2 and a molecular weight of 2281.78 g/mol. Its IUPAC name is 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole.

Molecular Properties

Compound Name5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole
PubChem CID159149953
Molecular FormulaC145H122F9N13S2
Molecular Weight2281.78 g/mol
Exact Mass2279.92
IUPAC Name5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole
SMILESCC1=CC(c2ccccc2)=CC1C(F)(F)F.Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1cc(N)c(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1sc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H19N.C22H18N2.C17H16N2.2C17H14S.C15H13N3.C13H11F3.C11H9F3N2.C10H8F3N3/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;1-17-21(18-11-5-2-6-12-18)23-22(19-13-7-3-8-14-19)24(17)20-15-9-4-10-16-20;1-13-12-16(18)17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15;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;1-9-7-11(8-12(9)13(14,15)16)10-5-3-2-4-6-10;1-8-7-10(9-5-3-2-4-6-9)15-16(8)11(12,13)14;1-7-14-15-9(16(7)10(11,12)13)8-5-3-2-4-6-8/h2-17H,1H3;2-16H,1H3;2-12H,18H2,1H3;2*2-12H,1H3;2-11H,1H3;2-8,12H,1H3;2-7H,1H3;2-6H,1H3
InChIKeyKJDOEOLMSBBOLX-UHFFFAOYSA-N
XLogP39.97
TPSA132.94 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002281.78
LogP ≤ 539.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole?
The IUPAC name of 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole (CID 159149953) is 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole.
What is the SMILES notation for 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole?
The canonical SMILES for 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole is CC1=CC(c2ccccc2)=CC1C(F)(F)F.Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1cc(N)c(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1sc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole?
The InChIKey is KJDOEOLMSBBOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N.C22H18N2.C17H16N2.2C17H14S.C15H13N3.C13H11F3.C11H9F3N2.C10H8F3N3/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;1-17-21(18-11-5-2-6-12-18)23-22(19-13-7-3-8-14-19)24(17)20-15-9-4-10-16-20;1-13-12-16(18)17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15;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;1-9-7-11(8-12(9)13(14,15)16)10-5-3-2-4-6-10;1-8-7-10(9-5-3-2-4-6-9)15-16(8)11(12,13)14;1-7-14-15-9(16(7)10(11,12)13)8-5-3-2-4-6-8/h2-17H,1H3;2-16H,1H3;2-12H,18H2,1H3;2*2-12H,1H3;2-11H,1H3;2-8,12H,1H3;2-7H,1H3;2-6H,1H3.
What are the key properties of 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole?
5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole has a molecular weight of 2281.78 g/mol, XLogP of 39.97, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-diphenylpyrrol-3-amine;2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole;3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;[4-methyl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole is sourced from PubChem (CID 159149953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).