1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene

C60H40Br2O12S3 — CID 20521001

IUPAC1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cccc(Br)c8)cc7)cc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40Br2O12S3/c61-41-7-9-43(10-8-41)69-46-15-27-55(28-16-46)75(63,64)56-29-17-47(18-30-56)70-44-11-13-45(14-12-44)71-48-19-31-57(32-20-48)76(65,66)59-35-23-50(24-36-59)73-53-5-2-6-54(40-53)74-51-25-37-60(38-26-51)77(67,68)58-33-21-49(22-34-58)72-52-4-1-3-42(62)39-52/h1-40H
InChIKeyUTHKHQODJALLQU-UHFFFAOYSA-N
MW1208.98 g/mol
LogP16.46
Rot. Bonds18

About 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene

1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene (PubChem CID 20521001) has the molecular formula C60H40Br2O12S3 and a molecular weight of 1208.98 g/mol. Its IUPAC name is 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
PubChem CID20521001
Molecular FormulaC60H40Br2O12S3
Molecular Weight1208.98 g/mol
Exact Mass1206.00
IUPAC Name1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cccc(Br)c8)cc7)cc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40Br2O12S3/c61-41-7-9-43(10-8-41)69-46-15-27-55(28-16-46)75(63,64)56-29-17-47(18-30-56)70-44-11-13-45(14-12-44)71-48-19-31-57(32-20-48)76(65,66)59-35-23-50(24-36-59)73-53-5-2-6-54(40-53)74-51-25-37-60(38-26-51)77(67,68)58-33-21-49(22-34-58)72-52-4-1-3-42(62)39-52/h1-40H
InChIKeyUTHKHQODJALLQU-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

Analyze 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene with MolForge

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Related Compounds

1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
CID 20520967
3-(4-bromophenoxy)benzenesulfonyl chloride
CID 102537230
3-[4-[4-(3-sulfanylphenoxy)phenyl]sulfonylphenoxy]benzenethiol
CID 170780586
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
1-ethynyl-3-[4-[4-[4-[4-[4-[3-[4-[4-(4-ethynylphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521209
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
[4-[4-[3-(4-methylsulfonyloxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl] methanesulfonate
CID 22336466
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
CID 175364339
3-(4-bromophenoxy)benzaldehyde
CID 12874363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene (CID 20521001) is 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene is O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cccc(Br)c8)cc7)cc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene?
The InChIKey is UTHKHQODJALLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40Br2O12S3/c61-41-7-9-43(10-8-41)69-46-15-27-55(28-16-46)75(63,64)56-29-17-47(18-30-56)70-44-11-13-45(14-12-44)71-48-19-31-57(32-20-48)76(65,66)59-35-23-50(24-36-59)73-53-5-2-6-54(40-53)74-51-25-37-60(38-26-51)77(67,68)58-33-21-49(22-34-58)72-52-4-1-3-42(62)39-52/h1-40H.
What are the key properties of 1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene?
1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene 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-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 20521001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).