1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene

C143H106F6O16S4 — CID 158678435

IUPAC1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C52H38O4.C50H38O6S2.C41H30F6O6S2/c1-35-13-17-39(18-14-35)51(53)41-21-27-45(28-22-41)55-49-31-25-43(33-47(49)37-9-5-3-6-10-37)44-26-32-50(48(34-44)38-11-7-4-8-12-38)56-46-29-23-42(24-30-46)52(54)40-19-15-36(2)16-20-40;1-35-13-23-43(24-14-35)57(51,52)45-27-19-41(20-28-45)55-49-31-17-39(33-47(49)37-9-5-3-6-10-37)40-18-32-50(48(34-40)38-11-7-4-8-12-38)56-42-21-29-46(30-22-42)58(53,54)44-25-15-36(2)16-26-44;1-27-3-19-35(20-4-27)54(48,49)37-23-15-33(16-24-37)52-31-11-7-29(8-12-31)39(40(42,43)44,41(45,46)47)30-9-13-32(14-10-30)53-34-17-25-38(26-18-34)55(50,51)36-21-5-28(2)6-22-36/h3-34H,1-2H3;3-34H,1-2H3;3-26H,1-2H3
InChIKeyIEUWDBOZJIVEON-UHFFFAOYSA-N
MW2322.66 g/mol
LogP36.87
Rot. Bonds32

About 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene

1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene (PubChem CID 158678435) has the molecular formula C143H106F6O16S4 and a molecular weight of 2322.66 g/mol. Its IUPAC name is 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene
PubChem CID158678435
Molecular FormulaC143H106F6O16S4
Molecular Weight2322.66 g/mol
Exact Mass2320.63
IUPAC Name1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C52H38O4.C50H38O6S2.C41H30F6O6S2/c1-35-13-17-39(18-14-35)51(53)41-21-27-45(28-22-41)55-49-31-25-43(33-47(49)37-9-5-3-6-10-37)44-26-32-50(48(34-44)38-11-7-4-8-12-38)56-46-29-23-42(24-30-46)52(54)40-19-15-36(2)16-20-40;1-35-13-23-43(24-14-35)57(51,52)45-27-19-41(20-28-45)55-49-31-17-39(33-47(49)37-9-5-3-6-10-37)40-18-32-50(48(34-40)38-11-7-4-8-12-38)56-42-21-29-46(30-22-42)58(53,54)44-25-15-36(2)16-26-44;1-27-3-19-35(20-4-27)54(48,49)37-23-15-33(16-24-37)52-31-11-7-29(8-12-31)39(40(42,43)44,41(45,46)47)30-9-13-32(14-10-30)53-34-17-25-38(26-18-34)55(50,51)36-21-5-28(2)6-22-36/h3-34H,1-2H3;3-34H,1-2H3;3-26H,1-2H3
InChIKeyIEUWDBOZJIVEON-UHFFFAOYSA-N
XLogP36.87
TPSA226.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002322.66
LogP ≤ 536.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene with MolForge

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Related Compounds

5,5-Difluoro-5-(phenylsulfonyl)pentyl 6-(3-((3r,5r,7r)-adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate
CID 163297716
2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 57616576
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
(4-Chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
CID 57737976
4-[5-Methoxy-2-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]benzoyl]phenoxy]phenyl]-2-methylbenzenesulfonic acid
CID 57822735
4-[2-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-5-methoxyphenyl]benzenesulfonic acid
CID 57822743
5-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
CID 57903623
2,2-Dimethylpropyl 5-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-2-methylbenzenesulfonate
CID 58159358
[5-[4-[4-[1-[4-(Methoxymethyl)phenyl]-3-bicyclo[3.3.1]nonanyl]phenoxy]-3-methoxysulfonylbenzoyl]-2-[4-[3-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]-1-bicyclo[3.3.1]nonanyl]phenoxy]phenyl]methanesulfonic acid
CID 58185859
[5-[3-Methoxysulfonyl-4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]-2-[4-[1,1,1-trifluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanesulfonic acid
CID 58185860
[5-[3-Methoxysulfonyl-4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]-2-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanesulfonic acid
CID 58185888
[5-[4-[4-(4-Methoxyphenyl)phenoxy]-3-methoxysulfonylbenzoyl]-2-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanesulfonic acid
CID 58185893

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene?
The IUPAC name of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene (CID 158678435) is 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene.
What is the SMILES notation for 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene?
The canonical SMILES for 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene is Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene?
The InChIKey is IEUWDBOZJIVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O4.C50H38O6S2.C41H30F6O6S2/c1-35-13-17-39(18-14-35)51(53)41-21-27-45(28-22-41)55-49-31-25-43(33-47(49)37-9-5-3-6-10-37)44-26-32-50(48(34-44)38-11-7-4-8-12-38)56-46-29-23-42(24-30-46)52(54)40-19-15-36(2)16-20-40;1-35-13-23-43(24-14-35)57(51,52)45-27-19-41(20-28-45)55-49-31-17-39(33-47(49)37-9-5-3-6-10-37)40-18-32-50(48(34-40)38-11-7-4-8-12-38)56-42-21-29-46(30-22-42)58(53,54)44-25-15-36(2)16-26-44;1-27-3-19-35(20-4-27)54(48,49)37-23-15-33(16-24-37)52-31-11-7-29(8-12-31)39(40(42,43)44,41(45,46)47)30-9-13-32(14-10-30)53-34-17-25-38(26-18-34)55(50,51)36-21-5-28(2)6-22-36/h3-34H,1-2H3;3-34H,1-2H3;3-26H,1-2H3.
What are the key properties of 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene?
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene has a molecular weight of 2322.66 g/mol, XLogP of 36.87, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylbenzene is sourced from PubChem (CID 158678435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).