2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene

C205H180F6N4O16S2 — CID 159306583

About 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene

2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene (PubChem CID 159306583) has the molecular formula C205H180F6N4O16S2 and a molecular weight of 3133.83 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene.

Molecular Properties

• Compound Name: 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene
• PubChem CID: 159306583
• Molecular Formula: C205H180F6N4O16S2
• Molecular Weight: 3133.83 g/mol
• Exact Mass: 3131.27
• IUPAC Name: 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene
• SMILES: Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)s1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(Oc3cccc(C)c3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1csc(C)c1
• InChI: InChI=1S/C29H22F6O2.6C22H18O2.C20H18O2.2C6H8N2.2C6H8S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;2*1-15-5-3-7-19(13-15)21(23)17-9-11-18(12-10-17)22(24)20-8-4-6-16(2)14-20;3*1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-15-6-8-17(9-7-15)21-18-10-12-19(13-11-18)22-20-5-3-4-16(2)14-20;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h3-18H,1-2H3;6*3-14H,1-2H3;3-14H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3
• InChIKey: LBZNSCAQSNAIFV-UHFFFAOYSA-N
• XLogP: 50.70
• TPSA: 293.32 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3133.83
LogP ≤ 5	50.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene?

The IUPAC name of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene (CID 159306583) is 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene.

What is the SMILES notation for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene?

The canonical SMILES for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene is Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)s1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(Oc3cccc(C)c3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)c1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1csc(C)c1.

What is the InChIKey of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene?

The InChIKey is LBZNSCAQSNAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.6C22H18O2.C20H18O2.2C6H8N2.2C6H8S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-15-3-7-17(8-4-15)21(23)19-11-13-20(14-12-19)22(24)18-9-5-16(2)6-10-18;2*1-15-5-3-7-19(13-15)21(23)17-9-11-18(12-10-17)22(24)20-8-4-6-16(2)14-20;3*1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-15-6-8-17(9-7-15)21-18-10-12-19(13-11-18)22-20-5-3-4-16(2)14-20;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h3-18H,1-2H3;6*3-14H,1-2H3;3-14H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene?

2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene has a molecular weight of 3133.83 g/mol, XLogP of 50.70, 34 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene is sourced from PubChem (CID 159306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).