2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C114H108N30O — CID 158430557

About 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158430557) has the molecular formula C114H108N30O and a molecular weight of 1914.33 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158430557
• Molecular Formula: C114H108N30O
• Molecular Weight: 1914.33 g/mol
• Exact Mass: 1912.93
• IUPAC Name: 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.Cc1cccc(C)c1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1C.Cc1ccccc1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
• InChI: InChI=1S/C24H24N6O.2C23H22N6.2C22H20N6/c1-16-4-8-18(9-5-16)25-22-28-23(26-19-10-6-17(2)7-11-19)30-24(29-22)27-20-12-14-21(31-3)15-13-20;1-16-10-9-11-17(2)20(16)26-23-28-21(24-18-12-5-3-6-13-18)27-22(29-23)25-19-14-7-4-8-15-19;1-16-10-9-15-20(17(16)2)26-23-28-21(24-18-11-5-3-6-12-18)27-22(29-23)25-19-13-7-4-8-14-19;1-16-10-8-9-15-19(16)25-22-27-20(23-17-11-4-2-5-12-17)26-21(28-22)24-18-13-6-3-7-14-18;1-16-9-8-14-19(15-16)25-22-27-20(23-17-10-4-2-5-11-17)26-21(28-22)24-18-12-6-3-7-13-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30);2*3-15H,1-2H3,(H3,24,25,26,27,28,29);2*2-15H,1H3,(H3,23,24,25,26,27,28)
• InChIKey: HBPJTJGXFIGUKF-UHFFFAOYSA-N
• XLogP: 27.99
• TPSA: 383.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.33
LogP ≤ 5	27.99
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 158430557) is 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

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

The canonical SMILES for 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.Cc1cccc(C)c1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1.Cc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1C.Cc1ccccc1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.

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

The InChIKey is HBPJTJGXFIGUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O.2C23H22N6.2C22H20N6/c1-16-4-8-18(9-5-16)25-22-28-23(26-19-10-6-17(2)7-11-19)30-24(29-22)27-20-12-14-21(31-3)15-13-20;1-16-10-9-11-17(2)20(16)26-23-28-21(24-18-12-5-3-6-13-18)27-22(29-23)25-19-14-7-4-8-15-19;1-16-10-9-15-20(17(16)2)26-23-28-21(24-18-11-5-3-6-12-18)27-22(29-23)25-19-13-7-4-8-14-19;1-16-10-8-9-15-19(16)25-22-27-20(23-17-11-4-2-5-12-17)26-21(28-22)24-18-13-6-3-7-14-18;1-16-9-8-14-19(15-16)25-22-27-20(23-17-10-4-2-5-11-17)26-21(28-22)24-18-12-6-3-7-13-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30);2*3-15H,1-2H3,(H3,24,25,26,27,28,29);2*2-15H,1H3,(H3,23,24,25,26,27,28).

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

2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1914.33 g/mol, XLogP of 27.99, 31 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,3-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(2,6-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-methoxyphenyl)-4-N,6-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158430557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).