1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene

C60H40Br2O12S3 — CID 20521157

IUPAC1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccccc4Oc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(Br)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40Br2O12S3/c61-41-5-9-43(10-6-41)69-48-21-31-54(32-22-48)75(63,64)56-35-25-50(26-36-56)71-45-13-15-46(16-14-45)72-52-29-39-58(40-30-52)77(67,68)60-4-2-1-3-59(60)74-53-19-17-47(18-20-53)73-51-27-37-57(38-28-51)76(65,66)55-33-23-49(24-34-55)70-44-11-7-42(62)8-12-44/h1-40H
InChIKeyJFATXGQOSOIUOO-UHFFFAOYSA-N
MW1208.98 g/mol
LogP16.46
Rot. Bonds18

About 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene

1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene (PubChem CID 20521157) has the molecular formula C60H40Br2O12S3 and a molecular weight of 1208.98 g/mol. Its IUPAC name is 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
PubChem CID20521157
Molecular FormulaC60H40Br2O12S3
Molecular Weight1208.98 g/mol
Exact Mass1206.00
IUPAC Name1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccccc4Oc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(Br)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40Br2O12S3/c61-41-5-9-43(10-6-41)69-48-21-31-54(32-22-48)75(63,64)56-35-25-50(26-36-56)71-45-13-15-46(16-14-45)72-52-29-39-58(40-30-52)77(67,68)60-4-2-1-3-59(60)74-53-19-17-47(18-20-53)73-51-27-37-57(38-28-51)76(65,66)55-33-23-49(24-34-55)70-44-11-7-42(62)8-12-44/h1-40H
InChIKeyJFATXGQOSOIUOO-UHFFFAOYSA-N
XLogP16.46
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.98
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
CID 20520967
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521001
4-[2-[4-(3-bromo-2-methylphenoxy)phenyl]sulfonylphenoxy]benzene-1,2-diamine
CID 20521180
2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride
CID 70475326
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
4-[3-[4-[2-[3-(3-hydroxy-3-methylbut-1-ynyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-2-methylbut-3-yn-2-ol
CID 20521102
1-[2-[4-[2-[4-[4-[4-[2-[4-[2-(1-hydroxycyclohexyl)ethynyl]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethynyl]cyclohexan-1-ol
CID 20521243
2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
CID 67162495
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol
CID 22131589

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene?
The IUPAC name of 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene (CID 20521157) is 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene.
What is the SMILES notation for 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene?
The canonical SMILES for 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene is O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccccc4Oc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(Br)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene?
The InChIKey is JFATXGQOSOIUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40Br2O12S3/c61-41-5-9-43(10-6-41)69-48-21-31-54(32-22-48)75(63,64)56-35-25-50(26-36-56)71-45-13-15-46(16-14-45)72-52-29-39-58(40-30-52)77(67,68)60-4-2-1-3-59(60)74-53-19-17-47(18-20-53)73-51-27-37-57(38-28-51)76(65,66)55-33-23-49(24-34-55)70-44-11-7-42(62)8-12-44/h1-40H.
What are the key properties of 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene?
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene has a molecular weight of 1208.98 g/mol, XLogP of 16.46, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene is sourced from PubChem (CID 20521157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).