1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)

C125H130F6O2S2 — CID 159802006

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
SMILESCc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24.C17H14F6.C17H20.C15H16.2C14H14O.2C14H14S/c1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;4*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h6-13H,3-5,14-15H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,11H2,1-2H3;4*3-10H,1-2H3
InChIKeyNJXKJKVWEBBQLB-UHFFFAOYSA-N
MW1842.53 g/mol
LogP36.89
Rot. Bonds16

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) (PubChem CID 159802006) has the molecular formula C125H130F6O2S2 and a molecular weight of 1842.53 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene).

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
PubChem CID159802006
Molecular FormulaC125H130F6O2S2
Molecular Weight1842.53 g/mol
Exact Mass1840.94
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
SMILESCc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24.C17H14F6.C17H20.C15H16.2C14H14O.2C14H14S/c1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;4*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h6-13H,3-5,14-15H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,11H2,1-2H3;4*3-10H,1-2H3
InChIKeyNJXKJKVWEBBQLB-UHFFFAOYSA-N
XLogP36.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001842.53
LogP ≤ 536.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) with MolForge

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Related Compounds

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CID 162623266
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(4-(tert-butyl)phenyl)sulfane
CID 162623285
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-(trifluoromethyl)phenyl)sulfane
CID 162623333
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(p-tolyl)sulfane
CID 162623349
1-[(Z)-1,2-bis(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]ethenyl]sulfanyl-4-(trifluoromethoxy)benzene
CID 176422562
2,4,6-Tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4H-thiopyran
CID 325618
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CID 18976474
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1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) (CID 159802006) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene).
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) is Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C2(c3ccc(C)cc3)CCCCC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
The InChIKey is NJXKJKVWEBBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24.C17H14F6.C17H20.C15H16.2C14H14O.2C14H14S/c1-16-6-10-18(11-7-16)20(14-4-3-5-15-20)19-12-8-17(2)9-13-19;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;4*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h6-13H,3-5,14-15H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,11H2,1-2H3;4*3-10H,1-2H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) has a molecular weight of 1842.53 g/mol, XLogP of 36.89, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;bis(1-methyl-4-(4-methylphenoxy)benzene);1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) is sourced from PubChem (CID 159802006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).