2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C88H81N25S — CID 161497555

About 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 161497555) has the molecular formula C88H81N25S and a molecular weight of 1520.86 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 161497555
• Molecular Formula: C88H81N25S
• Molecular Weight: 1520.86 g/mol
• Exact Mass: 1519.68
• IUPAC Name: 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCc1ccccc1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.CSc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1.Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1.c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccncc3)n2)cc1
• InChI: InChI=1S/2C23H22N6.C22H20N6S.C20H17N7/c1-16-13-14-20(17(2)15-16)26-23-28-21(24-18-9-5-3-6-10-18)27-22(29-23)25-19-11-7-4-8-12-19;1-2-17-11-9-10-16-20(17)26-23-28-21(24-18-12-5-3-6-13-18)27-22(29-23)25-19-14-7-4-8-15-19;1-29-19-14-8-13-18(15-19)25-22-27-20(23-16-9-4-2-5-10-16)26-21(28-22)24-17-11-6-3-7-12-17;1-3-7-15(8-4-1)22-18-25-19(23-16-9-5-2-6-10-16)27-20(26-18)24-17-11-13-21-14-12-17/h3-15H,1-2H3,(H3,24,25,26,27,28,29);3-16H,2H2,1H3,(H3,24,25,26,27,28,29);2-15H,1H3,(H3,23,24,25,26,27,28);1-14H,(H3,21,22,23,24,25,26,27)
• InChIKey: WGKIRQOCHCDWAH-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 311.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1520.86
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 161497555) is 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is CCc1ccccc1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.CSc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1.Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1.c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccncc3)n2)cc1.

What is the InChIKey of 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is WGKIRQOCHCDWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22N6.C22H20N6S.C20H17N7/c1-16-13-14-20(17(2)15-16)26-23-28-21(24-18-9-5-3-6-10-18)27-22(29-23)25-19-11-7-4-8-12-19;1-2-17-11-9-10-16-20(17)26-23-28-21(24-18-12-5-3-6-13-18)27-22(29-23)25-19-14-7-4-8-15-19;1-29-19-14-8-13-18(15-19)25-22-27-20(23-16-9-4-2-5-10-16)26-21(28-22)24-17-11-6-3-7-12-17;1-3-7-15(8-4-1)22-18-25-19(23-16-9-5-2-6-10-16)27-20(26-18)24-17-11-13-21-14-12-17/h3-15H,1-2H3,(H3,24,25,26,27,28,29);3-16H,2H2,1H3,(H3,24,25,26,27,28,29);2-15H,1H3,(H3,23,24,25,26,27,28);1-14H,(H3,21,22,23,24,25,26,27).

What are the key properties of 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?

2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1520.86 g/mol, XLogP of 21.71, 26 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,4-dimethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;4-N,6-N-diphenyl-2-N-pyridin-4-yl-1,3,5-triazine-2,4,6-triamine;2-N-(2-ethylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N-(3-methylsulfanylphenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 161497555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).