[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid

C204H188F12O32S8 — CID 157237745

About [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid

[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid (PubChem CID 157237745) has the molecular formula C204H188F12O32S8 and a molecular weight of 3636.23 g/mol. Its IUPAC name is [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid.

Molecular Properties

• Compound Name: [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
• PubChem CID: 157237745
• Molecular Formula: C204H188F12O32S8
• Molecular Weight: 3636.23 g/mol
• Exact Mass: 3633.07
• IUPAC Name: [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
• SMILES: CC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)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(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
• InChI: InChI=1S/C49H34F6O4.C49H40O4.C47H34F6O6S2.C47H40O6S2.4C2H6.4CH4O3S/c1-32-7-11-35(12-8-32)45(56)37-15-23-41(24-16-37)58-43-27-19-39(20-28-43)47(48(50,51)52,49(53,54)55)40-21-29-44(30-22-40)59-42-25-17-38(18-26-42)46(57)36-13-9-34(10-14-36)31-33-5-3-2-4-6-33;1-34-9-13-37(14-10-34)47(50)39-17-25-43(26-18-39)52-45-29-21-41(22-30-45)49(2,3)42-23-31-46(32-24-42)53-44-27-19-40(20-28-44)48(51)38-15-11-36(12-16-38)33-35-7-5-4-6-8-35;1-32-7-23-41(24-8-32)60(54,55)43-27-19-39(20-28-43)58-37-15-11-35(12-16-37)45(46(48,49)50,47(51,52)53)36-13-17-38(18-14-36)59-40-21-29-44(30-22-40)61(56,57)42-25-9-34(10-26-42)31-33-5-3-2-4-6-33;1-34-9-25-43(26-10-34)54(48,49)45-29-21-41(22-30-45)52-39-17-13-37(14-18-39)47(2,3)38-15-19-40(20-16-38)53-42-23-31-46(32-24-42)55(50,51)44-27-11-36(12-28-44)33-35-7-5-4-6-8-35;4*1-2;4*1-5(2,3)4/h2-30H,31H2,1H3;4-32H,33H2,1-3H3;2-30H,31H2,1H3;4-32H,33H2,1-3H3;4*1-2H3;4*1H3,(H,2,3,4)
• InChIKey: HNRPPBZTXJYYIN-UHFFFAOYSA-N
• XLogP: 50.53
• TPSA: 496.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3636.23
LogP ≤ 5	50.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid?

The IUPAC name of [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid (CID 157237745) is [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid.

What is the SMILES notation for [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid?

The canonical SMILES for [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid is CC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccccc7)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(Cc7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccccc7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid?

The InChIKey is HNRPPBZTXJYYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34F6O4.C49H40O4.C47H34F6O6S2.C47H40O6S2.4C2H6.4CH4O3S/c1-32-7-11-35(12-8-32)45(56)37-15-23-41(24-16-37)58-43-27-19-39(20-28-43)47(48(50,51)52,49(53,54)55)40-21-29-44(30-22-40)59-42-25-17-38(18-26-42)46(57)36-13-9-34(10-14-36)31-33-5-3-2-4-6-33;1-34-9-13-37(14-10-34)47(50)39-17-25-43(26-18-39)52-45-29-21-41(22-30-45)49(2,3)42-23-31-46(32-24-42)53-44-27-19-40(20-28-44)48(51)38-15-11-36(12-16-38)33-35-7-5-4-6-8-35;1-32-7-23-41(24-8-32)60(54,55)43-27-19-39(20-28-43)58-37-15-11-35(12-16-37)45(46(48,49)50,47(51,52)53)36-13-17-38(18-14-36)59-40-21-29-44(30-22-40)61(56,57)42-25-9-34(10-26-42)31-33-5-3-2-4-6-33;1-34-9-25-43(26-10-34)54(48,49)45-29-21-41(22-30-45)52-39-17-13-37(14-18-39)47(2,3)38-15-19-40(20-16-38)53-42-23-31-46(32-24-42)55(50,51)44-27-11-36(12-28-44)33-35-7-5-4-6-8-35;4*1-2;4*1-5(2,3)4/h2-30H,31H2,1H3;4-32H,33H2,1-3H3;2-30H,31H2,1H3;4-32H,33H2,1-3H3;4*1-2H3;4*1H3,(H,2,3,4).

What are the key properties of [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid?

[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid has a molecular weight of 3636.23 g/mol, XLogP of 50.53, 48 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid is sourced from PubChem (CID 157237745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).