6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C78H75ClN10O2 — CID 159517173

About 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 159517173) has the molecular formula C78H75ClN10O2 and a molecular weight of 1219.98 g/mol. Its IUPAC name is 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159517173
• Molecular Formula: C78H75ClN10O2
• Molecular Weight: 1219.98 g/mol
• Exact Mass: 1218.58
• IUPAC Name: 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• SMILES: Cc1cc(C)cc(O)c1.Cc1ccc(N(c2ccc(C)cc2)c2nc(Oc3cc(C)cc(C)c3)nc(N(c3ccc(C)cc3)c3ccc(C)cc3)n2)cc1.Cc1ccc(N(c2cccc(C)c2)c2nc(Cl)nc(N(c3ccccc3)c3ccc(C)c(C)c3)n2)cc1
• InChI: InChI=1S/C39H37N5O.C31H28ClN5.C8H10O/c1-26-7-15-32(16-8-26)43(33-17-9-27(2)10-18-33)37-40-38(42-39(41-37)45-36-24-30(5)23-31(6)25-36)44(34-19-11-28(3)12-20-34)35-21-13-29(4)14-22-35;1-21-13-16-26(17-14-21)37(27-12-8-9-22(2)19-27)31-34-29(32)33-30(35-31)36(25-10-6-5-7-11-25)28-18-15-23(3)24(4)20-28;1-6-3-7(2)5-8(9)4-6/h7-25H,1-6H3;5-20H,1-4H3;3-5,9H,1-2H3
• InChIKey: MBIRPUMWJUUPGE-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 119.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1219.98
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 159517173) is 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(O)c1.Cc1ccc(N(c2ccc(C)cc2)c2nc(Oc3cc(C)cc(C)c3)nc(N(c3ccc(C)cc3)c3ccc(C)cc3)n2)cc1.Cc1ccc(N(c2cccc(C)c2)c2nc(Cl)nc(N(c3ccccc3)c3ccc(C)c(C)c3)n2)cc1.

What is the InChIKey of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is MBIRPUMWJUUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N5O.C31H28ClN5.C8H10O/c1-26-7-15-32(16-8-26)43(33-17-9-27(2)10-18-33)37-40-38(42-39(41-37)45-36-24-30(5)23-31(6)25-36)44(34-19-11-28(3)12-20-34)35-21-13-29(4)14-22-35;1-21-13-16-26(17-14-21)37(27-12-8-9-22(2)19-27)31-34-29(32)33-30(35-31)36(25-10-6-5-7-11-25)28-18-15-23(3)24(4)20-28;1-6-3-7(2)5-8(9)4-6/h7-25H,1-6H3;5-20H,1-4H3;3-5,9H,1-2H3.

What are the key properties of 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine?

6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1219.98 g/mol, XLogP of 21.16, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-N-(3,4-dimethylphenyl)-2-N-(3-methylphenyl)-2-N-(4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;3,5-dimethylphenol;6-(3,5-dimethylphenoxy)-2-N,2-N,4-N,4-N-tetrakis(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159517173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).