[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone

C72H50F12O8S — CID 118474105

About [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone

[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone (PubChem CID 118474105) has the molecular formula C72H50F12O8S and a molecular weight of 1303.23 g/mol. Its IUPAC name is [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

• Compound Name: [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
• PubChem CID: 118474105
• Molecular Formula: C72H50F12O8S
• Molecular Weight: 1303.23 g/mol
• Exact Mass: 1302.30
• IUPAC Name: [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
• SMILES: Cc1ccc(C)c(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(c8ccc(Oc9ccc(C(=O)c%10cc(C)ccc%10C)cc9)cc8)(C(F)(F)F)C(F)(F)F)cc7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)c1
• InChI: InChI=1S/C72H50F12O8S/c1-43-5-7-45(3)63(41-43)65(85)47-9-21-53(22-10-47)89-55-25-13-49(14-26-55)67(69(73,74)75,70(76,77)78)51-17-29-57(30-18-51)91-59-33-37-61(38-34-59)93(87,88)62-39-35-60(36-40-62)92-58-31-19-52(20-32-58)68(71(79,80)81,72(82,83)84)50-15-27-56(28-16-50)90-54-23-11-48(12-24-54)66(86)64-42-44(2)6-8-46(64)4/h5-42H,1-4H3
• InChIKey: UVISYFAQMSINEU-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1303.23
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone?

The IUPAC name of [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone (CID 118474105) is [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone.

What is the SMILES notation for [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone?

The canonical SMILES for [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(c8ccc(Oc9ccc(C(=O)c%10cc(C)ccc%10C)cc9)cc8)(C(F)(F)F)C(F)(F)F)cc7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)c1.

What is the InChIKey of [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone?

The InChIKey is UVISYFAQMSINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50F12O8S/c1-43-5-7-45(3)63(41-43)65(85)47-9-21-53(22-10-47)89-55-25-13-49(14-26-55)67(69(73,74)75,70(76,77)78)51-17-29-57(30-18-51)91-59-33-37-61(38-34-59)93(87,88)62-39-35-60(36-40-62)92-58-31-19-52(20-32-58)68(71(79,80)81,72(82,83)84)50-15-27-56(28-16-50)90-54-23-11-48(12-24-54)66(86)64-42-44(2)6-8-46(64)4/h5-42H,1-4H3.

What are the key properties of [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone?

[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone has a molecular weight of 1303.23 g/mol, XLogP of 20.21, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 118474105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).