(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone

C70H52F6O8S — CID 88564613

IUPAC(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(C)(c8ccc(Oc9ccc(C(=O)c%10ccc(C)cc%10)cc9)cc8)C(F)(F)F)cc7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C70H52F6O8S/c1-45-5-9-47(10-6-45)65(77)49-13-25-55(26-14-49)81-57-29-17-51(18-30-57)67(3,69(71,72)73)53-21-33-59(34-22-53)83-61-37-41-63(42-38-61)85(79,80)64-43-39-62(40-44-64)84-60-35-23-54(24-36-60)68(4,70(74,75)76)52-19-31-58(32-20-52)82-56-27-15-50(16-28-56)66(78)48-11-7-46(2)8-12-48/h5-44H,1-4H3
InChIKeyFCFLGPTZVTVSHO-UHFFFAOYSA-N
MW1167.23 g/mol
LogP18.50
Rot. Bonds18

About (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone

(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone (PubChem CID 88564613) has the molecular formula C70H52F6O8S and a molecular weight of 1167.23 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
PubChem CID88564613
Molecular FormulaC70H52F6O8S
Molecular Weight1167.23 g/mol
Exact Mass1166.33
IUPAC Name(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(C)(c8ccc(Oc9ccc(C(=O)c%10ccc(C)cc%10)cc9)cc8)C(F)(F)F)cc7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C70H52F6O8S/c1-45-5-9-47(10-6-45)65(77)49-13-25-55(26-14-49)81-57-29-17-51(18-30-57)67(3,69(71,72)73)53-21-33-59(34-22-53)83-61-37-41-63(42-38-61)85(79,80)64-43-39-62(40-44-64)84-60-35-23-54(24-36-60)68(4,70(74,75)76)52-19-31-58(32-20-52)82-56-27-15-50(16-28-56)66(78)48-11-7-46(2)8-12-48/h5-44H,1-4H3
InChIKeyFCFLGPTZVTVSHO-UHFFFAOYSA-N
XLogP18.50
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.23
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone (CID 88564613) is (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(C)(c8ccc(Oc9ccc(C(=O)c%10ccc(C)cc%10)cc9)cc8)C(F)(F)F)cc7)cc6)cc5)cc4)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
The InChIKey is FCFLGPTZVTVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52F6O8S/c1-45-5-9-47(10-6-45)65(77)49-13-25-55(26-14-49)81-57-29-17-51(18-30-57)67(3,69(71,72)73)53-21-33-59(34-22-53)83-61-37-41-63(42-38-61)85(79,80)64-43-39-62(40-44-64)84-60-35-23-54(24-36-60)68(4,70(74,75)76)52-19-31-58(32-20-52)82-56-27-15-50(16-28-56)66(78)48-11-7-46(2)8-12-48/h5-44H,1-4H3.
What are the key properties of (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone?
(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone has a molecular weight of 1167.23 g/mol, XLogP of 18.50, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 88564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).