1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene

C185H211F9O10S — CID 157059375

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene
SMILESCC(C)C1CCC(CC2CCC(C(C)C)CC2)CC1.CC(C)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.CC(C)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.Cc1cc(C(C)C)ccc1-c1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1-c1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C33H30F6O2.C33H36O2.C30H30O4S.C30H30O2.C20H23F3.C20H26.C19H36/c1-21(2)23-5-13-27(14-6-23)40-29-17-9-25(10-18-29)31(32(34,35)36,33(37,38)39)26-11-19-30(20-12-26)41-28-15-7-24(8-16-28)22(3)4;1-23(2)25-7-15-29(16-8-25)34-31-19-11-27(12-20-31)33(5,6)28-13-21-32(22-14-28)35-30-17-9-26(10-18-30)24(3)4;1-21(2)23-5-9-25(10-6-23)33-27-13-17-29(18-14-27)35(31,32)30-19-15-28(16-20-30)34-26-11-7-24(8-12-26)22(3)4;1-21(2)23-5-13-27(14-6-23)31-29-17-9-25(10-18-29)26-11-19-30(20-12-26)32-28-15-7-24(8-16-28)22(3)4;1-12(2)15-6-8-17(14(5)10-15)18-9-7-16(13(3)4)11-19(18)20(21,22)23;1-13(2)17-7-9-19(15(5)11-17)20-10-8-18(14(3)4)12-16(20)6;1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4/h5-22H,1-4H3;7-24H,1-6H3;5-22H,1-4H3;5-22H,1-4H3;6-13H,1-5H3;7-14H,1-6H3;14-19H,5-13H2,1-4H3
InChIKeyABDKGLGGOFLVOG-UHFFFAOYSA-N
MW2797.76 g/mol
LogP57.75
Rot. Bonds41

About 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene

1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene (PubChem CID 157059375) has the molecular formula C185H211F9O10S and a molecular weight of 2797.76 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene
PubChem CID157059375
Molecular FormulaC185H211F9O10S
Molecular Weight2797.76 g/mol
Exact Mass2795.56
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene
SMILESCC(C)C1CCC(CC2CCC(C(C)C)CC2)CC1.CC(C)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.CC(C)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.Cc1cc(C(C)C)ccc1-c1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1-c1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C33H30F6O2.C33H36O2.C30H30O4S.C30H30O2.C20H23F3.C20H26.C19H36/c1-21(2)23-5-13-27(14-6-23)40-29-17-9-25(10-18-29)31(32(34,35)36,33(37,38)39)26-11-19-30(20-12-26)41-28-15-7-24(8-16-28)22(3)4;1-23(2)25-7-15-29(16-8-25)34-31-19-11-27(12-20-31)33(5,6)28-13-21-32(22-14-28)35-30-17-9-26(10-18-30)24(3)4;1-21(2)23-5-9-25(10-6-23)33-27-13-17-29(18-14-27)35(31,32)30-19-15-28(16-20-30)34-26-11-7-24(8-12-26)22(3)4;1-21(2)23-5-13-27(14-6-23)31-29-17-9-25(10-18-29)26-11-19-30(20-12-26)32-28-15-7-24(8-16-28)22(3)4;1-12(2)15-6-8-17(14(5)10-15)18-9-7-16(13(3)4)11-19(18)20(21,22)23;1-13(2)17-7-9-19(15(5)11-17)20-10-8-18(14(3)4)12-16(20)6;1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4/h5-22H,1-4H3;7-24H,1-6H3;5-22H,1-4H3;5-22H,1-4H3;6-13H,1-5H3;7-14H,1-6H3;14-19H,5-13H2,1-4H3
InChIKeyABDKGLGGOFLVOG-UHFFFAOYSA-N
XLogP57.75
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds41
Heavy Atoms205
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002797.76
LogP ≤ 557.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene (CID 157059375) is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene is CC(C)C1CCC(CC2CCC(C(C)C)CC2)CC1.CC(C)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.CC(C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.CC(C)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(C)C)cc4)cc3)cc2)cc1.Cc1cc(C(C)C)ccc1-c1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1-c1ccc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene?
The InChIKey is ABDKGLGGOFLVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F6O2.C33H36O2.C30H30O4S.C30H30O2.C20H23F3.C20H26.C19H36/c1-21(2)23-5-13-27(14-6-23)40-29-17-9-25(10-18-29)31(32(34,35)36,33(37,38)39)26-11-19-30(20-12-26)41-28-15-7-24(8-16-28)22(3)4;1-23(2)25-7-15-29(16-8-25)34-31-19-11-27(12-20-31)33(5,6)28-13-21-32(22-14-28)35-30-17-9-26(10-18-30)24(3)4;1-21(2)23-5-9-25(10-6-23)33-27-13-17-29(18-14-27)35(31,32)30-19-15-28(16-20-30)34-26-11-7-24(8-12-26)22(3)4;1-21(2)23-5-13-27(14-6-23)31-29-17-9-25(10-18-29)26-11-19-30(20-12-26)32-28-15-7-24(8-16-28)22(3)4;1-12(2)15-6-8-17(14(5)10-15)18-9-7-16(13(3)4)11-19(18)20(21,22)23;1-13(2)17-7-9-19(15(5)11-17)20-10-8-18(14(3)4)12-16(20)6;1-14(2)18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)15(3)4/h5-22H,1-4H3;7-24H,1-6H3;5-22H,1-4H3;5-22H,1-4H3;6-13H,1-5H3;7-14H,1-6H3;14-19H,5-13H2,1-4H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene?
1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene has a molecular weight of 2797.76 g/mol, XLogP of 57.75, 41 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]-4-(4-propan-2-ylphenoxy)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]phenoxy]benzene;1-propan-2-yl-4-[4-[2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-propan-2-yl-4-[4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 157059375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).