3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

C132H168N24O2S8 — CID 167598940

About 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 167598940) has the molecular formula C132H168N24O2S8 and a molecular weight of 2379.50 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

• Compound Name: 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
• PubChem CID: 167598940
• Molecular Formula: C132H168N24O2S8
• Molecular Weight: 2379.50 g/mol
• Exact Mass: 2377.15
• IUPAC Name: 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
• SMILES: CCc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(CC)cc4)CN3)NC2)cc1.COc1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(OC)cc4)CN3)NC2)cc1.Cc1ccc(C)c(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4cc(C)ccc4C)CN3)NC2)c1.Cc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(C)c(C)c4)CN3)NC2)cc1C
• InChI: InChI=1S/3C34H44N6S2.C30H36N6O2S2/c1-25-9-11-29(17-27(25)3)13-15-39-21-35-33(36-22-39)41-19-31-7-5-6-8-32(31)20-42-34-37-23-40(24-38-34)16-14-30-12-10-26(2)28(4)18-30;1-25-9-11-27(3)29(17-25)13-15-39-21-35-33(36-22-39)41-19-31-7-5-6-8-32(31)20-42-34-37-23-40(24-38-34)16-14-30-18-26(2)10-12-28(30)4;1-3-27-9-13-29(14-10-27)17-19-39-23-35-33(36-24-39)41-21-31-7-5-6-8-32(31)22-42-34-37-25-40(26-38-34)20-18-30-15-11-28(4-2)12-16-30;1-37-27-11-7-23(8-12-27)15-35-19-31-29(32-20-35)39-17-25-5-3-4-6-26(25)18-40-30-33-21-36(22-34-30)16-24-9-13-28(38-2)14-10-24/h2*5-12,17-18H,13-16,19-24H2,1-4H3,(H,35,36)(H,37,38);5-16H,3-4,17-26H2,1-2H3,(H,35,36)(H,37,38);3-14H,15-22H2,1-2H3,(H,31,32)(H,33,34)
• InChIKey: JLQDFXVDNSNQRR-UHFFFAOYSA-N
• XLogP: 23.49
• TPSA: 239.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.50
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?

The IUPAC name of 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 167598940) is 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?

The canonical SMILES for 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is CCc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(CC)cc4)CN3)NC2)cc1.COc1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(OC)cc4)CN3)NC2)cc1.Cc1ccc(C)c(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4cc(C)ccc4C)CN3)NC2)c1.Cc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(C)c(C)c4)CN3)NC2)cc1C.

What is the InChIKey of 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?

The InChIKey is JLQDFXVDNSNQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C34H44N6S2.C30H36N6O2S2/c1-25-9-11-29(17-27(25)3)13-15-39-21-35-33(36-22-39)41-19-31-7-5-6-8-32(31)20-42-34-37-23-40(24-38-34)16-14-30-12-10-26(2)28(4)18-30;1-25-9-11-27(3)29(17-25)13-15-39-21-35-33(36-22-39)41-19-31-7-5-6-8-32(31)20-42-34-37-23-40(24-38-34)16-14-30-18-26(2)10-12-28(30)4;1-3-27-9-13-29(14-10-27)17-19-39-23-35-33(36-24-39)41-21-31-7-5-6-8-32(31)22-42-34-37-25-40(26-38-34)20-18-30-15-11-28(4-2)12-16-30;1-37-27-11-7-23(8-12-27)15-35-19-31-29(32-20-35)39-17-25-5-3-4-6-26(25)18-40-30-33-21-36(22-34-30)16-24-9-13-28(38-2)14-10-24/h2*5-12,17-18H,13-16,19-24H2,1-4H3,(H,35,36)(H,37,38);5-16H,3-4,17-26H2,1-2H3,(H,35,36)(H,37,38);3-14H,15-22H2,1-2H3,(H,31,32)(H,33,34).

What are the key properties of 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?

3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 2379.50 g/mol, XLogP of 23.49, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(4-methoxyphenyl)methyl]-6-[[2-[[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 167598940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).