1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene

C52H42O10S3 — CID 118474119

IUPAC1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cc(C)cc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C52H42O10S3/c1-35-29-36(2)32-45(31-35)61-43-13-25-51(26-14-43)64(55,56)49-21-9-41(10-22-49)59-39-5-17-47(18-6-39)63(53,54)48-19-7-40(8-20-48)60-42-11-23-50(24-12-42)65(57,58)52-27-15-44(16-28-52)62-46-33-37(3)30-38(4)34-46/h5-34H,1-4H3
InChIKeyHSCXIFSUDVDPLJ-UHFFFAOYSA-N
MW923.10 g/mol
LogP12.59
Rot. Bonds14

About 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene

1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene (PubChem CID 118474119) has the molecular formula C52H42O10S3 and a molecular weight of 923.10 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
PubChem CID118474119
Molecular FormulaC52H42O10S3
Molecular Weight923.10 g/mol
Exact Mass922.19
IUPAC Name1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cc(C)cc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C52H42O10S3/c1-35-29-36(2)32-45(31-35)61-43-13-25-51(26-14-43)64(55,56)49-21-9-41(10-22-49)59-39-5-17-47(18-6-39)63(53,54)48-19-7-40(8-20-48)60-42-11-23-50(24-12-42)65(57,58)52-27-15-44(16-28-52)62-46-33-37(3)30-38(4)34-46/h5-34H,1-4H3
InChIKeyHSCXIFSUDVDPLJ-UHFFFAOYSA-N
XLogP12.59
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.10
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene (CID 118474119) is 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene is Cc1cc(C)cc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cc(C)cc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene?
The InChIKey is HSCXIFSUDVDPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42O10S3/c1-35-29-36(2)32-45(31-35)61-43-13-25-51(26-14-43)64(55,56)49-21-9-41(10-22-49)59-39-5-17-47(18-6-39)63(53,54)48-19-7-40(8-20-48)60-42-11-23-50(24-12-42)65(57,58)52-27-15-44(16-28-52)62-46-33-37(3)30-38(4)34-46/h5-34H,1-4H3.
What are the key properties of 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene?
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene has a molecular weight of 923.10 g/mol, XLogP of 12.59, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 118474119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).