2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)

C122H124N30O3 — CID 159754853

About 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)

2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine) (PubChem CID 159754853) has the molecular formula C122H124N30O3 and a molecular weight of 2058.54 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine).

Molecular Properties

• Compound Name: 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)
• PubChem CID: 159754853
• Molecular Formula: C122H124N30O3
• Molecular Weight: 2058.54 g/mol
• Exact Mass: 2057.05
• IUPAC Name: 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)
• SMILES: COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1.COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1.COc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccc(C(C)(C)C)cc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)c1
• InChI: InChI=1S/C27H30N6.3C24H24N6O.C23H22N6/c1-18-8-6-10-22(16-18)29-25-31-24(28-21-14-12-20(13-15-21)27(3,4)5)32-26(33-25)30-23-11-7-9-19(2)17-23;1-16-7-4-9-18(13-16)25-22-28-23(26-19-10-5-8-17(2)14-19)30-24(29-22)27-20-11-6-12-21(15-20)31-3;2*1-16-6-4-8-19(14-16)26-23-28-22(25-18-10-12-21(31-3)13-11-18)29-24(30-23)27-20-9-5-7-17(2)15-20;1-16-8-6-12-19(14-16)25-22-27-21(24-18-10-4-3-5-11-18)28-23(29-22)26-20-13-7-9-17(2)15-20/h6-17H,1-5H3,(H3,28,29,30,31,32,33);3*4-15H,1-3H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: NECXSMISFQIBQO-UHFFFAOYSA-N
• XLogP: 29.92
• TPSA: 401.49 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.54
LogP ≤ 5	29.92
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)?

The IUPAC name of 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine) (CID 159754853) is 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine).

What is the SMILES notation for 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)?

The canonical SMILES for 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine) is COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1.COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1.COc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccc(C(C)(C)C)cc3)nc(Nc3cccc(C)c3)n2)c1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(C)c3)n2)c1.

What is the InChIKey of 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)?

The InChIKey is NECXSMISFQIBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6.3C24H24N6O.C23H22N6/c1-18-8-6-10-22(16-18)29-25-31-24(28-21-14-12-20(13-15-21)27(3,4)5)32-26(33-25)30-23-11-7-9-19(2)17-23;1-16-7-4-9-18(13-16)25-22-28-23(26-19-10-5-8-17(2)14-19)30-24(29-22)27-20-11-6-12-21(15-20)31-3;2*1-16-6-4-8-19(14-16)26-23-28-22(25-18-10-12-21(31-3)13-11-18)29-24(30-23)27-20-9-5-7-17(2)15-20;1-16-8-6-12-19(14-16)25-22-27-21(24-18-10-4-3-5-11-18)28-23(29-22)26-20-13-7-9-17(2)15-20/h6-17H,1-5H3,(H3,28,29,30,31,32,33);3*4-15H,1-3H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29).

What are the key properties of 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine)?

2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine) has a molecular weight of 2058.54 g/mol, XLogP of 29.92, 33 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine;6-N-(4-tert-butylphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;bis(6-N-(4-methoxyphenyl)-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine) is sourced from PubChem (CID 159754853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).