1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone

C90H74ClN15O3 — CID 158894237

About 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone

1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone (PubChem CID 158894237) has the molecular formula C90H74ClN15O3 and a molecular weight of 1449.14 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone
• PubChem CID: 158894237
• Molecular Formula: C90H74ClN15O3
• Molecular Weight: 1449.14 g/mol
• Exact Mass: 1447.58
• IUPAC Name: 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone
• SMILES: CC(=O)c1cccc(-c2cccc(Cn3cncn3)c2)c1.Clc1cccc(-c2cccc(Cn3cncn3)c2)c1.c1cc(Cn2cncn2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc(Cn3cncn3)c2)cc1.c1ccc(COc2ccc(-c3cccc(Cn4cncn4)c3)cc2)cc1
• InChI: InChI=1S/C22H19N3O.C21H15N3O.C17H15N3O.C15H12ClN3.C15H13N3/c1-2-5-18(6-3-1)15-26-22-11-9-20(10-12-22)21-8-4-7-19(13-21)14-25-17-23-16-24-25;1-2-10-20-18(7-1)19-9-4-8-17(21(19)25-20)16-6-3-5-15(11-16)12-24-14-22-13-23-24;1-13(21)15-5-3-7-17(9-15)16-6-2-4-14(8-16)10-20-12-18-11-19-20;16-15-6-2-5-14(8-15)13-4-1-3-12(7-13)9-19-11-17-10-18-19;1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-18-12-16-11-17-18/h1-13,16-17H,14-15H2;1-11,13-14H,12H2;2-9,11-12H,10H2,1H3;1-8,10-11H,9H2;1-9,11-12H,10H2
• InChIKey: JEQAJZHQCBTIGU-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 192.99 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.14
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone?

The IUPAC name of 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone (CID 158894237) is 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone.

What is the SMILES notation for 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone?

The canonical SMILES for 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone is CC(=O)c1cccc(-c2cccc(Cn3cncn3)c2)c1.Clc1cccc(-c2cccc(Cn3cncn3)c2)c1.c1cc(Cn2cncn2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc(Cn3cncn3)c2)cc1.c1ccc(COc2ccc(-c3cccc(Cn4cncn4)c3)cc2)cc1.

What is the InChIKey of 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone?

The InChIKey is JEQAJZHQCBTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.C21H15N3O.C17H15N3O.C15H12ClN3.C15H13N3/c1-2-5-18(6-3-1)15-26-22-11-9-20(10-12-22)21-8-4-7-19(13-21)14-25-17-23-16-24-25;1-2-10-20-18(7-1)19-9-4-8-17(21(19)25-20)16-6-3-5-15(11-16)12-24-14-22-13-23-24;1-13(21)15-5-3-7-17(9-15)16-6-2-4-14(8-16)10-20-12-18-11-19-20;16-15-6-2-5-14(8-15)13-4-1-3-12(7-13)9-19-11-17-10-18-19;1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-18-12-16-11-17-18/h1-13,16-17H,14-15H2;1-11,13-14H,12H2;2-9,11-12H,10H2,1H3;1-8,10-11H,9H2;1-9,11-12H,10H2.

What are the key properties of 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone?

1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone has a molecular weight of 1449.14 g/mol, XLogP of 19.30, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(3-chlorophenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-dibenzofuran-4-ylphenyl)methyl]-1,2,4-triazole;1-[[3-(4-phenylmethoxyphenyl)phenyl]methyl]-1,2,4-triazole;1-[(3-phenylphenyl)methyl]-1,2,4-triazole;1-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 158894237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).