[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene

C84H66F6O10S2 — CID 158911098

IUPAC[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H30F6O4.C41H36O6S2/c1-27-3-7-29(8-4-27)39(50)31-11-19-35(20-12-31)52-37-23-15-33(16-24-37)41(42(44,45)46,43(47,48)49)34-17-25-38(26-18-34)53-36-21-13-32(14-22-36)40(51)30-9-5-28(2)6-10-30;1-29-5-21-37(22-6-29)48(42,43)39-25-17-35(18-26-39)46-33-13-9-31(10-14-33)41(3,4)32-11-15-34(16-12-32)47-36-19-27-40(28-20-36)49(44,45)38-23-7-30(2)8-24-38/h3-26H,1-2H3;5-28H,1-4H3
InChIKeyJGQUDYLUKMYDTN-UHFFFAOYSA-N
MW1413.56 g/mol
LogP21.64
Rot. Bonds20

About [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene

[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene (PubChem CID 158911098) has the molecular formula C84H66F6O10S2 and a molecular weight of 1413.56 g/mol. Its IUPAC name is [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene.

Molecular Properties

Compound Name[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
PubChem CID158911098
Molecular FormulaC84H66F6O10S2
Molecular Weight1413.56 g/mol
Exact Mass1412.40
IUPAC Name[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H30F6O4.C41H36O6S2/c1-27-3-7-29(8-4-27)39(50)31-11-19-35(20-12-31)52-37-23-15-33(16-24-37)41(42(44,45)46,43(47,48)49)34-17-25-38(26-18-34)53-36-21-13-32(14-22-36)40(51)30-9-5-28(2)6-10-30;1-29-5-21-37(22-6-29)48(42,43)39-25-17-35(18-26-39)46-33-13-9-31(10-14-33)41(3,4)32-11-15-34(16-12-32)47-36-19-27-40(28-20-36)49(44,45)38-23-7-30(2)8-24-38/h3-26H,1-2H3;5-28H,1-4H3
InChIKeyJGQUDYLUKMYDTN-UHFFFAOYSA-N
XLogP21.64
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001413.56
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene (CID 158911098) is [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene.
What is the SMILES notation for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The canonical SMILES for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene is Cc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The InChIKey is JGQUDYLUKMYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30F6O4.C41H36O6S2/c1-27-3-7-29(8-4-27)39(50)31-11-19-35(20-12-31)52-37-23-15-33(16-24-37)41(42(44,45)46,43(47,48)49)34-17-25-38(26-18-34)53-36-21-13-32(14-22-36)40(51)30-9-5-28(2)6-10-30;1-29-5-21-37(22-6-29)48(42,43)39-25-17-35(18-26-39)46-33-13-9-31(10-14-33)41(3,4)32-11-15-34(16-12-32)47-36-19-27-40(28-20-36)49(44,45)38-23-7-30(2)8-24-38/h3-26H,1-2H3;5-28H,1-4H3.
What are the key properties of [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene has a molecular weight of 1413.56 g/mol, XLogP of 21.64, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene is sourced from PubChem (CID 158911098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).