benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone

C155H116F4O18S3 — CID 157181550

IUPACbenzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone
SMILESC.CC(=O)c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(c1ccc(F)cc1)c1ccc(F)cc1.O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1.O=S(=O)(c1ccccc1)c1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C45H34O5.C38H24F2O4S.C34H26O4S.C13H8F2O.C12H10O2S.C12H10O2.CH4/c1-31-3-17-39(18-4-31)48-40-21-9-34(10-22-40)35-11-25-42(26-12-35)50-44-29-15-37(16-30-44)45(46)36-13-27-43(28-14-36)49-41-23-7-33(8-24-41)32-5-19-38(47-2)20-6-32;39-29-9-1-25(2-10-29)37(41)27-5-13-31(14-6-27)43-33-17-21-35(22-18-33)45-36-23-19-34(20-24-36)44-32-15-7-28(8-16-32)38(42)26-3-11-30(40)12-4-26;1-23-3-5-26(6-4-23)34(36)27-9-13-29(14-10-27)38-31-17-21-33(22-18-31)39-32-19-15-30(16-20-32)37-28-11-7-25(8-12-28)24(2)35;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h3-30H,1-2H3;1-24H;3-22H,1-2H3;1-8H;1-10H;1-8,13-14H;1H4
InChIKeyAOPWWDIQSRURQF-UHFFFAOYSA-N
MW2438.81 g/mol
LogP40.39
Rot. Bonds35

About benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone

benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone (PubChem CID 157181550) has the molecular formula C155H116F4O18S3 and a molecular weight of 2438.81 g/mol. Its IUPAC name is benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone.

Molecular Properties

Compound Namebenzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone
PubChem CID157181550
Molecular FormulaC155H116F4O18S3
Molecular Weight2438.81 g/mol
Exact Mass2436.73
IUPAC Namebenzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone
SMILESC.CC(=O)c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(c1ccc(F)cc1)c1ccc(F)cc1.O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1.O=S(=O)(c1ccccc1)c1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C45H34O5.C38H24F2O4S.C34H26O4S.C13H8F2O.C12H10O2S.C12H10O2.CH4/c1-31-3-17-39(18-4-31)48-40-21-9-34(10-22-40)35-11-25-42(26-12-35)50-44-29-15-37(16-30-44)45(46)36-13-27-43(28-14-36)49-41-23-7-33(8-24-41)32-5-19-38(47-2)20-6-32;39-29-9-1-25(2-10-29)37(41)27-5-13-31(14-6-27)43-33-17-21-35(22-18-33)45-36-23-19-34(20-24-36)44-32-15-7-28(8-16-32)38(42)26-3-11-30(40)12-4-26;1-23-3-5-26(6-4-23)34(36)27-9-13-29(14-10-27)38-31-17-21-33(22-18-31)39-32-19-15-30(16-20-32)37-28-11-7-25(8-12-28)24(2)35;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h3-30H,1-2H3;1-24H;3-22H,1-2H3;1-8H;1-10H;1-8,13-14H;1H4
InChIKeyAOPWWDIQSRURQF-UHFFFAOYSA-N
XLogP40.39
TPSA250.86 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002438.81
LogP ≤ 540.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone with MolForge

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Related Compounds

4,4-Bis(benzenesulfonyl)-4-fluoro-1-(4-methoxyphenyl)-3-phenylbutan-1-one
CID 135060809
2-(Benzenesulfonyl)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-(4-methoxyphenyl)ethanone
CID 22639168
[4-[4-[2-Fluoro-4-(8-prop-2-enoyloxyoctoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57528075
[4-[4-[2-Fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560421
[4-[4-[2-Fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560431
[4-[4-[2-Fluoro-4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560434
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
5-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
CID 57903623
2,2-Dimethylpropyl 5-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-2-methylbenzenesulfonate
CID 58159358
[5-[3-Methoxysulfonyl-4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]-2-[4-[1,1,1-trifluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanesulfonic acid
CID 58185860
[5-[4-[4-(4-Methoxyphenyl)phenoxy]-3-methoxysulfonylbenzoyl]-2-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenyl]methanesulfonic acid
CID 58185869
[5-[4-[4-(4-Methoxyphenyl)phenoxy]-3-methoxysulfonylbenzoyl]-2-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanesulfonic acid
CID 58185893

Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone?
The IUPAC name of benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone (CID 157181550) is benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone.
What is the SMILES notation for benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone?
The canonical SMILES for benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone is C.CC(=O)c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(c1ccc(F)cc1)c1ccc(F)cc1.O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)cc3)cc2)cc1.O=S(=O)(c1ccccc1)c1ccccc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone?
The InChIKey is AOPWWDIQSRURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34O5.C38H24F2O4S.C34H26O4S.C13H8F2O.C12H10O2S.C12H10O2.CH4/c1-31-3-17-39(18-4-31)48-40-21-9-34(10-22-40)35-11-25-42(26-12-35)50-44-29-15-37(16-30-44)45(46)36-13-27-43(28-14-36)49-41-23-7-33(8-24-41)32-5-19-38(47-2)20-6-32;39-29-9-1-25(2-10-29)37(41)27-5-13-31(14-6-27)43-33-17-21-35(22-18-33)45-36-23-19-34(20-24-36)44-32-15-7-28(8-16-32)38(42)26-3-11-30(40)12-4-26;1-23-3-5-26(6-4-23)34(36)27-9-13-29(14-10-27)38-31-17-21-33(22-18-31)39-32-19-15-30(16-20-32)37-28-11-7-25(8-12-28)24(2)35;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h3-30H,1-2H3;1-24H;3-22H,1-2H3;1-8H;1-10H;1-8,13-14H;1H4.
What are the key properties of benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone?
benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone has a molecular weight of 2438.81 g/mol, XLogP of 40.39, 35 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene;bis(4-fluorophenyl)methanone;[4-[4-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone;4-(4-hydroxyphenyl)phenol;methane;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]ethanone is sourced from PubChem (CID 157181550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).