1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole

C152H113FN18O13S — CID 159424860

About 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole

1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 159424860) has the molecular formula C152H113FN18O13S and a molecular weight of 2450.75 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole
• PubChem CID: 159424860
• Molecular Formula: C152H113FN18O13S
• Molecular Weight: 2450.75 g/mol
• Exact Mass: 2448.84
• IUPAC Name: 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole
• SMILES: COc1ccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2C)cc1.Cc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1.Cc1nc(-c2cccc(-c3cccc(F)c3)c2)nn1-c1ccccc1.Cc1nc(-c2cccc(-c3ccccc3)c2)nn1Cc1ccccc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.c1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4cccc5ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccs4)n(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C30H21N3.C27H21N3.C24H17N3S.C22H19N3O.C22H19N3.C21H16FN3.6CO2/c1-3-11-22(12-4-1)25-17-9-18-26(21-25)29-31-30(24-14-5-2-6-15-24)33(32-29)28-20-10-16-23-13-7-8-19-27(23)28;1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21;1-3-9-18(10-4-1)19-11-7-12-20(17-19)23-25-24(22-15-8-16-28-22)27(26-23)21-13-5-2-6-14-21;1-16-23-22(24-25(16)20-11-13-21(26-2)14-12-20)19-10-6-9-18(15-19)17-7-4-3-5-8-17;1-17-23-22(24-25(17)16-18-9-4-2-5-10-18)21-14-8-13-20(15-21)19-11-6-3-7-12-19;1-15-23-21(24-25(15)20-11-3-2-4-12-20)18-9-5-7-16(13-18)17-8-6-10-19(22)14-17;6*2-1-3/h1-21H;2-19H,1H3;1-17H;3-15H,1-2H3;2-15H,16H2,1H3;2-14H,1H3
• InChIKey: LQFKYLYWBJBRPP-UHFFFAOYSA-N
• XLogP: 31.76
• TPSA: 398.33 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2450.75
LogP ≤ 5	31.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole?

The IUPAC name of 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole (CID 159424860) is 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole.

What is the SMILES notation for 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole?

The canonical SMILES for 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole is COc1ccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2C)cc1.Cc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1.Cc1nc(-c2cccc(-c3cccc(F)c3)c2)nn1-c1ccccc1.Cc1nc(-c2cccc(-c3ccccc3)c2)nn1Cc1ccccc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.c1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4cccc5ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccs4)n(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole?

The InChIKey is LQFKYLYWBJBRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3.C27H21N3.C24H17N3S.C22H19N3O.C22H19N3.C21H16FN3.6CO2/c1-3-11-22(12-4-1)25-17-9-18-26(21-25)29-31-30(24-14-5-2-6-15-24)33(32-29)28-20-10-16-23-13-7-8-19-27(23)28;1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21;1-3-9-18(10-4-1)19-11-7-12-20(17-19)23-25-24(22-15-8-16-28-22)27(26-23)21-13-5-2-6-14-21;1-16-23-22(24-25(16)20-11-13-21(26-2)14-12-20)19-10-6-9-18(15-19)17-7-4-3-5-8-17;1-17-23-22(24-25(17)16-18-9-4-2-5-10-18)21-14-8-13-20(15-21)19-11-6-3-7-12-19;1-15-23-21(24-25(15)20-11-3-2-4-12-20)18-9-5-7-16(13-18)17-8-6-10-19(22)14-17;6*2-1-3/h1-21H;2-19H,1H3;1-17H;3-15H,1-2H3;2-15H,16H2,1H3;2-14H,1H3;;;;;;.

What are the key properties of 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole?

1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 2450.75 g/mol, XLogP of 31.76, 23 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;hexakis(carbon dioxide);3-[3-(3-fluorophenyl)phenyl]-5-methyl-1-phenyl-1,2,4-triazole;1-(4-methoxyphenyl)-5-methyl-3-(3-phenylphenyl)-1,2,4-triazole;1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-naphthalen-1-yl-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole;1-phenyl-3-(3-phenylphenyl)-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 159424860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).