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

C149H123F9N14S2 — CID 157492570

IUPAC2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1sc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/2C23H19N.C22H18N2.2C17H14S.C15H13N3.2C11H9F3N2.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;1-18-17-22(19-11-5-2-6-12-19)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;1-13-16(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;2*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*2-17H,1H3;2-16H,1H3;2*2-12H,1H3;2-11H,1H3;2*2-7H,1H3;2-6H,1H3
InChIKeyBXLMBNYJIMHINF-UHFFFAOYSA-N
MW2344.84 g/mol
LogP41.18
Rot. Bonds18

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

2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole (PubChem CID 157492570) has the molecular formula C149H123F9N14S2 and a molecular weight of 2344.84 g/mol. Its IUPAC name is 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole.

Molecular Properties

Compound Name2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole
PubChem CID157492570
Molecular FormulaC149H123F9N14S2
Molecular Weight2344.84 g/mol
Exact Mass2342.94
IUPAC Name2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1sc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/2C23H19N.C22H18N2.2C17H14S.C15H13N3.2C11H9F3N2.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;1-18-17-22(19-11-5-2-6-12-19)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;1-13-16(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;2*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*2-17H,1H3;2-16H,1H3;2*2-12H,1H3;2-11H,1H3;2*2-7H,1H3;2-6H,1H3
InChIKeyBXLMBNYJIMHINF-UHFFFAOYSA-N
XLogP41.18
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.84
LogP ≤ 541.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole with MolForge

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Related Compounds

2-Chloro-1-methyl-4-(trifluoromethyl)imidazole;bis(1,5-dimethyl-3-(trifluoromethyl)pyrazole);1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;4-methyl-2-(trifluoromethyl)thiophene;1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 157527051
2-Deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole
CID 158962523
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
4,9-Dimethyl-8-phenyl-14-[4-[9-(trifluoromethyl)carbazol-3-yl]phenyl]-5-thia-1,8,10,15-tetrazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),9,12,14-hexaene
CID 59359255
10,12,14,15,17,19,22,24-Octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CID 87720016
10,12,14,15,17,19,22,24-Octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene;ruthenium
CID 87988452
CID 88804303
CID 88804303
1,4-Diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole
CID 157172613
5-[2-[1-(3,5-Diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
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2-[3-(2,8-Dimethyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;1-phenyl-2-[3-(6-phenyldibenzothiophen-4-yl)phenyl]benzimidazole;1-phenyl-2-[3-(2,6,8-trimethyldibenzothiophen-4-yl)phenyl]benzimidazole;1-phenyl-2-[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]benzimidazole
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9-(3-Carbazol-9-ylphenyl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-1-phenylbenzimidazole;iridium;3-methyl-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
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1,4-Diphenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]imidazole;1,5-diphenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]imidazole;1,3-diphenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]pyrazole;1,5-diphenyl-4-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]pyrazole;1,4-diphenyl-5-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]triazole
CID 157623230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole?
The IUPAC name of 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole (CID 157492570) is 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole.
What is the SMILES notation for 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole?
The canonical SMILES for 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole is Cc1c(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.Cc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)nn1C(F)(F)F.Cc1cc(-c2ccccc2)sc1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1C(F)(F)F.Cc1sc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole?
The InChIKey is BXLMBNYJIMHINF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N.C22H18N2.2C17H14S.C15H13N3.2C11H9F3N2.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;1-18-17-22(19-11-5-2-6-12-19)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;1-13-16(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;2*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*2-17H,1H3;2-16H,1H3;2*2-12H,1H3;2-11H,1H3;2*2-7H,1H3;2-6H,1H3.
What are the key properties of 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole?
2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole has a molecular weight of 2344.84 g/mol, XLogP of 41.18, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-diphenylthiophene;3-methyl-2,5-diphenylthiophene;3-methyl-4,5-diphenyl-1,2,4-triazole;bis(5-methyl-3-phenyl-1-(trifluoromethyl)pyrazole);3-methyl-5-phenyl-4-(trifluoromethyl)-1,2,4-triazole;5-methyl-1,2,4-triphenylimidazole;2-methyl-1,3,5-triphenylpyrrole;5-methyl-1,2,3-triphenylpyrrole is sourced from PubChem (CID 157492570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).