1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene

C58H42F12O6S — CID 118474110

IUPAC1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(Oc2ccc(C(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(c7ccc(Oc8cc(C)cc(C)c8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C58H42F12O6S/c1-35-29-36(2)32-49(31-35)75-45-17-9-41(10-18-45)53(55(59,60)61,56(62,63)64)39-5-13-43(14-6-39)73-47-21-25-51(26-22-47)77(71,72)52-27-23-48(24-28-52)74-44-15-7-40(8-16-44)54(57(65,66)67,58(68,69)70)42-11-19-46(20-12-42)76-50-33-37(3)30-38(4)34-50/h5-34H,1-4H3
InChIKeyYMWVLQKDFHZTJD-UHFFFAOYSA-N
MW1095.01 g/mol
LogP17.74
Rot. Bonds14

About 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene

1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene (PubChem CID 118474110) has the molecular formula C58H42F12O6S and a molecular weight of 1095.01 g/mol. Its IUPAC name is 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene
PubChem CID118474110
Molecular FormulaC58H42F12O6S
Molecular Weight1095.01 g/mol
Exact Mass1094.25
IUPAC Name1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(Oc2ccc(C(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(c7ccc(Oc8cc(C)cc(C)c8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C58H42F12O6S/c1-35-29-36(2)32-49(31-35)75-45-17-9-41(10-18-45)53(55(59,60)61,56(62,63)64)39-5-13-43(14-6-39)73-47-21-25-51(26-22-47)77(71,72)52-27-23-48(24-28-52)74-44-15-7-40(8-16-44)54(57(65,66)67,58(68,69)70)42-11-19-46(20-12-42)76-50-33-37(3)30-38(4)34-50/h5-34H,1-4H3
InChIKeyYMWVLQKDFHZTJD-UHFFFAOYSA-N
XLogP17.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.01
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene (CID 118474110) is 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene is Cc1cc(C)cc(Oc2ccc(C(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(c7ccc(Oc8cc(C)cc(C)c8)cc7)(C(F)(F)F)C(F)(F)F)cc6)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene?
The InChIKey is YMWVLQKDFHZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42F12O6S/c1-35-29-36(2)32-49(31-35)75-45-17-9-41(10-18-45)53(55(59,60)61,56(62,63)64)39-5-13-43(14-6-39)73-47-21-25-51(26-22-47)77(71,72)52-27-23-48(24-28-52)74-44-15-7-40(8-16-44)54(57(65,66)67,58(68,69)70)42-11-19-46(20-12-42)76-50-33-37(3)30-38(4)34-50/h5-34H,1-4H3.
What are the key properties of 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene?
1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene has a molecular weight of 1095.01 g/mol, XLogP of 17.74, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[4-[4-[4-[2-[4-(3,5-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 118474110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).