1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol

C122H94F14O14S3 — CID 157120689

IUPAC1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
SMILESCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1.O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C68H52F6O8S2.C27H24O2.C15H10F6O2.C12H8F2O2S/c1-45-15-33-57(34-16-45)83(75,76)58-35-27-54(28-36-58)80-52-23-17-48(18-24-52)66(67(69,70)71,68(72,73)74)49-19-25-53(26-20-49)81-55-29-37-59(38-30-55)84(77,78)60-39-31-56(32-40-60)82-64-42-22-51(44-62(64)47-13-9-6-10-14-47)65(2,3)50-21-41-63(79-4)61(43-50)46-11-7-5-8-12-46;1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h5-44H,1-4H3;3-18,28-29H,1-2H3;1-8,22-23H;1-8H
InChIKeyAHXYGQTYIKAFPO-UHFFFAOYSA-N
MW2146.25 g/mol
LogP32.18
Rot. Bonds25

About 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol

1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol (PubChem CID 157120689) has the molecular formula C122H94F14O14S3 and a molecular weight of 2146.25 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol.

Molecular Properties

Compound Name1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
PubChem CID157120689
Molecular FormulaC122H94F14O14S3
Molecular Weight2146.25 g/mol
Exact Mass2144.56
IUPAC Name1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
SMILESCC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1.O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C68H52F6O8S2.C27H24O2.C15H10F6O2.C12H8F2O2S/c1-45-15-33-57(34-16-45)83(75,76)58-35-27-54(28-36-58)80-52-23-17-48(18-24-52)66(67(69,70)71,68(72,73)74)49-19-25-53(26-20-49)81-55-29-37-59(38-30-55)84(77,78)60-39-31-56(32-40-60)82-64-42-22-51(44-62(64)47-13-9-6-10-14-47)65(2,3)50-21-41-63(79-4)61(43-50)46-11-7-5-8-12-46;1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h5-44H,1-4H3;3-18,28-29H,1-2H3;1-8,22-23H;1-8H
InChIKeyAHXYGQTYIKAFPO-UHFFFAOYSA-N
XLogP32.18
TPSA220.26 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.25
LogP ≤ 532.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol with MolForge

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

Launch Full Analysis

Related Compounds

[23-[25,27-Dihydroxy-26-propoxy-28-(trifluoromethylsulfonyloxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]-26,28-dihydroxy-27-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl] trifluoromethanesulfonate
CID 102524692
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]benzene
CID 18996449
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996464
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
6-phenyl-5-[4-[5-[4-(trifluoromethyl)phenyl]sulfonylpentoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 21868837
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964743
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964932
1-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-4-(4-methylphenyl)sulfanylbenzene
CID 23557756
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 23557757

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
The IUPAC name of 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol (CID 157120689) is 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol.
What is the SMILES notation for 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
The canonical SMILES for 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol is CC(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1.O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
The InChIKey is AHXYGQTYIKAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52F6O8S2.C27H24O2.C15H10F6O2.C12H8F2O2S/c1-45-15-33-57(34-16-45)83(75,76)58-35-27-54(28-36-58)80-52-23-17-48(18-24-52)66(67(69,70)71,68(72,73)74)49-19-25-53(26-20-49)81-55-29-37-59(38-30-55)84(77,78)60-39-31-56(32-40-60)82-64-42-22-51(44-62(64)47-13-9-6-10-14-47)65(2,3)50-21-41-63(79-4)61(43-50)46-11-7-5-8-12-46;1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h5-44H,1-4H3;3-18,28-29H,1-2H3;1-8,22-23H;1-8H.
What are the key properties of 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol?
1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol has a molecular weight of 2146.25 g/mol, XLogP of 32.18, 25 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol is sourced from PubChem (CID 157120689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).