4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)

C206H204N24 — CID 160929600

About 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)

4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole) (PubChem CID 160929600) has the molecular formula C206H204N24 and a molecular weight of 3016.07 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole).

Molecular Properties

• Compound Name: 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)
• PubChem CID: 160929600
• Molecular Formula: C206H204N24
• Molecular Weight: 3016.07 g/mol
• Exact Mass: 3013.67
• IUPAC Name: 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)
• SMILES: CCCC(C)(C)c1nnc(-c2cccc(C)c2)n1-c1ccccc1C.CCCC(C)(C)c1nnc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1C.Cc1cc(C)cc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3ccccc3)cc2C)c1.Cc1ccc(-n2c(-c3ccccc3)nnc2-c2cc(C(C)C)cc(C(C)C)c2)c(C)c1.Cc1ccc(C)c(-c2nnc(-c3cccc(-c4ccccc4)c3)n2-c2ccccc2C)c1.Cc1cccc(-c2nnc(-c3ccccc3)n2-c2ccccc2C)c1.Cc1cccc(-c2nnc(-c3ccccc3)n2-c2ccccc2C)c1.Cc1cccc(-c2nnc(-c3ccccc3C)n2-c2ccc(C(C)(C)C)cc2C)c1
• InChI: InChI=1S/2C29H25N3.C28H31N3.2C27H29N3.2C22H19N3.C22H27N3/c1-20-16-21(2)18-26(17-20)29-31-30-28(24-12-8-5-9-13-24)32(29)27-15-14-25(19-22(27)3)23-10-6-4-7-11-23;1-20-16-17-21(2)26(18-20)29-31-30-28(32(29)27-15-8-7-10-22(27)3)25-14-9-13-24(19-25)23-11-5-4-6-12-23;1-18(2)23-15-24(19(3)4)17-25(16-23)28-30-29-27(22-10-8-7-9-11-22)31(28)26-13-12-20(5)14-21(26)6;1-18-10-9-12-21(16-18)25-28-29-26(23-13-8-7-11-19(23)2)30(25)24-15-14-22(17-20(24)3)27(4,5)6;1-5-18-27(3,4)26-29-28-25(22-14-10-7-11-15-22)30(26)24-17-16-23(19-20(24)2)21-12-8-6-9-13-21;2*1-16-9-8-13-19(15-16)22-24-23-21(18-11-4-3-5-12-18)25(22)20-14-7-6-10-17(20)2;1-6-14-22(4,5)21-24-23-20(18-12-9-10-16(2)15-18)25(21)19-13-8-7-11-17(19)3/h2*4-19H,1-3H3;7-19H,1-6H3;7-17H,1-6H3;6-17,19H,5,18H2,1-4H3;2*3-15H,1-2H3;7-13,15H,6,14H2,1-5H3
• InChIKey: STCAGEMEOFOUFH-UHFFFAOYSA-N
• XLogP: 51.73
• TPSA: 245.68 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3016.07
LogP ≤ 5	51.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)?

The IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole) (CID 160929600) is 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole).

What is the SMILES notation for 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)?

The canonical SMILES for 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole) is CCCC(C)(C)c1nnc(-c2cccc(C)c2)n1-c1ccccc1C.CCCC(C)(C)c1nnc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1C.Cc1cc(C)cc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3ccccc3)cc2C)c1.Cc1ccc(-n2c(-c3ccccc3)nnc2-c2cc(C(C)C)cc(C(C)C)c2)c(C)c1.Cc1ccc(C)c(-c2nnc(-c3cccc(-c4ccccc4)c3)n2-c2ccccc2C)c1.Cc1cccc(-c2nnc(-c3ccccc3)n2-c2ccccc2C)c1.Cc1cccc(-c2nnc(-c3ccccc3)n2-c2ccccc2C)c1.Cc1cccc(-c2nnc(-c3ccccc3C)n2-c2ccc(C(C)(C)C)cc2C)c1.

What is the InChIKey of 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)?

The InChIKey is STCAGEMEOFOUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25N3.C28H31N3.2C27H29N3.2C22H19N3.C22H27N3/c1-20-16-21(2)18-26(17-20)29-31-30-28(24-12-8-5-9-13-24)32(29)27-15-14-25(19-22(27)3)23-10-6-4-7-11-23;1-20-16-17-21(2)26(18-20)29-31-30-28(32(29)27-15-8-7-10-22(27)3)25-14-9-13-24(19-25)23-11-5-4-6-12-23;1-18(2)23-15-24(19(3)4)17-25(16-23)28-30-29-27(22-10-8-7-9-11-22)31(28)26-13-12-20(5)14-21(26)6;1-18-10-9-12-21(16-18)25-28-29-26(23-13-8-7-11-19(23)2)30(25)24-15-14-22(17-20(24)3)27(4,5)6;1-5-18-27(3,4)26-29-28-25(22-14-10-7-11-15-22)30(26)24-17-16-23(19-20(24)2)21-12-8-6-9-13-21;2*1-16-9-8-13-19(15-16)22-24-23-21(18-11-4-3-5-12-18)25(22)20-14-7-6-10-17(20)2;1-6-14-22(4,5)21-24-23-20(18-12-9-10-16(2)15-18)25(21)19-13-8-7-11-17(19)3/h2*4-19H,1-3H3;7-19H,1-6H3;7-17H,1-6H3;6-17,19H,5,18H2,1-4H3;2*3-15H,1-2H3;7-13,15H,6,14H2,1-5H3.

What are the key properties of 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole)?

4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole) has a molecular weight of 3016.07 g/mol, XLogP of 51.73, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butyl-2-methylphenyl)-3-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-[3,5-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole;3-(2,5-dimethylphenyl)-4-(2-methylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole;3-(3,5-dimethylphenyl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole;3-(2-methylpentan-2-yl)-4-(2-methyl-4-phenylphenyl)-5-phenyl-1,2,4-triazole;bis(4-(2-methylphenyl)-3-(3-methylphenyl)-5-phenyl-1,2,4-triazole) is sourced from PubChem (CID 160929600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).