1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene

C40H22F12O14S6 — CID 3098761

IUPAC1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2S(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)C(F)(F)F)cc4S(=O)(=O)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C40H22F12O14S6/c41-37(42,43)69(57,58)31-17-19-33(35(21-31)71(61,62)39(47,48)49)65-25-5-13-29(14-6-25)67(53,54)27-9-1-23(2-10-27)24-3-11-28(12-4-24)68(55,56)30-15-7-26(8-16-30)66-34-20-18-32(70(59,60)38(44,45)46)22-36(34)72(63,64)40(50,51)52/h1-22H
InChIKeyVWFXJZKGNLYPGS-UHFFFAOYSA-N
MW1146.98 g/mol
LogP9.78
Rot. Bonds13

About 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene

1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene (PubChem CID 3098761) has the molecular formula C40H22F12O14S6 and a molecular weight of 1146.98 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene.

Molecular Properties

Compound Name1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene
PubChem CID3098761
Molecular FormulaC40H22F12O14S6
Molecular Weight1146.98 g/mol
Exact Mass1145.91
IUPAC Name1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2S(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)C(F)(F)F)cc4S(=O)(=O)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C40H22F12O14S6/c41-37(42,43)69(57,58)31-17-19-33(35(21-31)71(61,62)39(47,48)49)65-25-5-13-29(14-6-25)67(53,54)27-9-1-23(2-10-27)24-3-11-28(12-4-24)68(55,56)30-15-7-26(8-16-30)66-34-20-18-32(70(59,60)38(44,45)46)22-36(34)72(63,64)40(50,51)52/h1-22H
InChIKeyVWFXJZKGNLYPGS-UHFFFAOYSA-N
XLogP9.78
TPSA223.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.98
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(4-(tert-butyl)phenyl)-10H-phenoxathiin-10-ium trifluoromethanesulfonate
CID 165436417
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]benzene
CID 18996449
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996464
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
1-[4-[4-(Trifluoromethyl)phenoxy]phenoxy]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]phenyl]sulfonylbenzene
CID 19987038
1-[4-[3-(Trifluoromethyl)phenoxy]phenoxy]-2-[2-[4-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]sulfonylbenzene
CID 19987042
Benzene, 1,1'-sulfonylbis[4-[3-(trifluoromethyl)phenoxy]-
CID 19987043
1-(1,1,2,2,2-Pentafluoroethyl)-3-[4-[4-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 19987055
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
bis[(Z)-3,3,3-trifluoro-2-(4-phenoxyphenyl)prop-1-enyl] benzene-1,3-disulfonate
CID 20728926
1-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-2-(2,2,2-trifluoroethoxy)benzene
CID 21099394
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene?
The IUPAC name of 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene (CID 3098761) is 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene.
What is the SMILES notation for 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene?
The canonical SMILES for 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene is O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2S(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)C(F)(F)F)cc4S(=O)(=O)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene?
The InChIKey is VWFXJZKGNLYPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22F12O14S6/c41-37(42,43)69(57,58)31-17-19-33(35(21-31)71(61,62)39(47,48)49)65-25-5-13-29(14-6-25)67(53,54)27-9-1-23(2-10-27)24-3-11-28(12-4-24)68(55,56)30-15-7-26(8-16-30)66-34-20-18-32(70(59,60)38(44,45)46)22-36(34)72(63,64)40(50,51)52/h1-22H.
What are the key properties of 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene?
1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene has a molecular weight of 1146.98 g/mol, XLogP of 9.78, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[4-[2,4-bis(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]-2,4-bis(trifluoromethylsulfonyl)benzene is sourced from PubChem (CID 3098761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).