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

C53H54F6N4O2S2 — CID 159246503

IUPAC2,5-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
SMILESCc1ccc(C)s1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1csc(C)c1
InChIInChI=1S/C29H22F6O2.2C6H8N2.2C6H8S/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;1-5-3-8-6(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;2*3-4H,1-2H3;2*3-4H,1-2H3
InChIKeyKUTBCAIVGISFJF-UHFFFAOYSA-N
MW957.16 g/mol
LogP16.22
Rot. Bonds6

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

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 (PubChem CID 159246503) has the molecular formula C53H54F6N4O2S2 and a molecular weight of 957.16 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.

Molecular Properties

Compound Name2,5-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
PubChem CID159246503
Molecular FormulaC53H54F6N4O2S2
Molecular Weight957.16 g/mol
Exact Mass956.36
IUPAC Name2,5-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
SMILESCc1ccc(C)s1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1csc(C)c1
InChIInChI=1S/C29H22F6O2.2C6H8N2.2C6H8S/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;1-5-3-8-6(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;2*3-4H,1-2H3;2*3-4H,1-2H3
InChIKeyKUTBCAIVGISFJF-UHFFFAOYSA-N
XLogP16.22
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.16
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-[4-[2-[4-(3,4-Dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;2,3,5,6-tetramethylpyrazine;2,3,4,5-tetramethylthiophene
CID 159008193
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
1,4-Bis(4-methylphenoxy)benzene;1,2-bis(4-methylphenyl)ethanone;[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-(3,4-dimethylphenyl)-2-phenylethanone;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);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;2-(3-methylphenyl)-1-(4-methylphenyl)ethanone
CID 161556452
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;methane;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);tris([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 161676338
2,5-Dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157272202
2,5-Dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 157921726
2,5-Dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;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;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 158297099
(4-Benzoyl-2,3-dimethylphenyl)-phenylmethanone;[4-(3,4-dimethylbenzoyl)phenyl]-phenylmethanone;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;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-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 160199331
2,5-Dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 160643948
2,5-Dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 160860099
3,4-Difluoro-2,5-bis(4-propylphenyl)thiophene;2-(4-ethoxy-2,3-difluorophenyl)-5-ethyl-3-fluorothiophene;3-ethoxy-2-fluoro-6-(4-methylphenyl)pyridine;2-(4-heptylphenyl)-5-propylpyrazine;2-octoxy-5-[4-(4-propylphenyl)phenyl]pyrazine
CID 161111418
[4-(3,4-Dimethylbenzoyl)phenyl]-phenylmethanone;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 161165831

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?
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 (CID 159246503) 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.
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?
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 is Cc1ccc(C)s1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.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?
The InChIKey is KUTBCAIVGISFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.2C6H8N2.2C6H8S/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;1-5-3-8-6(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;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?
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 has a molecular weight of 957.16 g/mol, XLogP of 16.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 159246503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).