bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone

C100H64Br2Cl6F6I2O12S4 — CID 160739447

IUPACbis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(Br)cc1.O=C(c1ccc(F)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(I)cc1.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H8BrFO.C13H8Cl2O.C13H8ClFO.C13H8FIO.C12H8BrFO2S.C12H8Cl2O2S.C12H8ClFO2S.C12H8FIO2S/c4*14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;4*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h4*1-8H;4*1-8H
InChIKeyRVJNRYNXJUYKPP-UHFFFAOYSA-N
MW2326.19 g/mol
LogP29.24
Rot. Bonds16

About bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone

bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone (PubChem CID 160739447) has the molecular formula C100H64Br2Cl6F6I2O12S4 and a molecular weight of 2326.19 g/mol. Its IUPAC name is bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Namebis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone
PubChem CID160739447
Molecular FormulaC100H64Br2Cl6F6I2O12S4
Molecular Weight2326.19 g/mol
Exact Mass2319.78
IUPAC Namebis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(Br)cc1.O=C(c1ccc(F)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(I)cc1.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H8BrFO.C13H8Cl2O.C13H8ClFO.C13H8FIO.C12H8BrFO2S.C12H8Cl2O2S.C12H8ClFO2S.C12H8FIO2S/c4*14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;4*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h4*1-8H;4*1-8H
InChIKeyRVJNRYNXJUYKPP-UHFFFAOYSA-N
XLogP29.24
TPSA204.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.19
LogP ≤ 529.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone with MolForge

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Related Compounds

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
1-(4-bromophenyl)-4-(4-fluorophenyl)sulfonylbenzene
CID 70397895
4-(4-fluorobenzoyl)benzenesulfonic acid
CID 139945300
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
CID 139652969
(4-fluorophenyl)-[4-[2-[4-(4-iodobenzoyl)phenyl]ethynyl]phenyl]methanone
CID 70875973
(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-chlorobenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58795328
3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one
CID 2825861
1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
CID 2825859

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone?
The IUPAC name of bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone (CID 160739447) is bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone.
What is the SMILES notation for bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone?
The canonical SMILES for bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(Br)cc1.O=C(c1ccc(F)cc1)c1ccc(Cl)cc1.O=C(c1ccc(F)cc1)c1ccc(I)cc1.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(Cl)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(I)cc1.
What is the InChIKey of bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone?
The InChIKey is RVJNRYNXJUYKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO.C13H8Cl2O.C13H8ClFO.C13H8FIO.C12H8BrFO2S.C12H8Cl2O2S.C12H8ClFO2S.C12H8FIO2S/c4*14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;4*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h4*1-8H;4*1-8H.
What are the key properties of bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone?
bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone has a molecular weight of 2326.19 g/mol, XLogP of 29.24, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)methanone;(4-bromophenyl)-(4-fluorophenyl)methanone;1-(4-bromophenyl)sulfonyl-4-fluorobenzene;1-chloro-4-(4-chlorophenyl)sulfonylbenzene;(4-chlorophenyl)-(4-fluorophenyl)methanone;1-(4-chlorophenyl)sulfonyl-4-fluorobenzene;1-fluoro-4-(4-iodophenyl)sulfonylbenzene;(4-fluorophenyl)-(4-iodophenyl)methanone is sourced from PubChem (CID 160739447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).