[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate

C151H119ClF35O10P5S9 — CID 159787366

IUPAC[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate
SMILESCOc1ccc([S+](c2ccc(CO)cc2)c2ccc(OC)cc2)cc1.COc1ccc([S+](c2ccc(OC)cc2)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.COc1ccc([S+](c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)cc2)c(Cl)c1
InChIInChI=1S/C33H24F3O2S2.C33H27O3S2.C33H27OS2.C31H20ClF2OS2.C21H21O3S.5F6P/c1-38-26-11-19-30(20-12-26)40(29-17-9-25(10-18-29)33(34,35)36)31-21-15-28(16-22-31)39-27-13-7-24(8-14-27)32(37)23-5-3-2-4-6-23;1-35-26-10-18-30(19-11-26)38(31-20-12-27(36-2)13-21-31)32-22-16-29(17-23-32)37-28-14-8-25(9-15-28)33(34)24-6-4-3-5-7-24;1-24-8-18-30(19-9-24)36(31-20-10-25(2)11-21-31)32-22-16-29(17-23-32)35-28-14-12-27(13-15-28)33(34)26-6-4-3-5-7-26;32-29-20-22(31(35)21-4-2-1-3-5-21)6-19-30(29)36-25-11-17-28(18-12-25)37(26-13-7-23(33)8-14-26)27-15-9-24(34)10-16-27;1-23-17-5-11-20(12-6-17)25(19-9-3-16(15-22)4-10-19)21-13-7-18(24-2)8-14-21;5*1-7(2,3,4,5)6/h2-22H,1H3;3-23H,1-2H3;3-23H,1-2H3;1-20H;3-14,22H,15H2,1-2H3;;;;;/q5*+1;5*-1
InChIKeyKUDLAXPXFDEVGD-UHFFFAOYSA-N
MW3237.46 g/mol
LogP56.45
Rot. Bonds37

About [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate

[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate (PubChem CID 159787366) has the molecular formula C151H119ClF35O10P5S9 and a molecular weight of 3237.46 g/mol. Its IUPAC name is [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate.

Molecular Properties

Compound Name[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate
PubChem CID159787366
Molecular FormulaC151H119ClF35O10P5S9
Molecular Weight3237.46 g/mol
Exact Mass3234.41
IUPAC Name[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate
SMILESCOc1ccc([S+](c2ccc(CO)cc2)c2ccc(OC)cc2)cc1.COc1ccc([S+](c2ccc(OC)cc2)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.COc1ccc([S+](c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)cc2)c(Cl)c1
InChIInChI=1S/C33H24F3O2S2.C33H27O3S2.C33H27OS2.C31H20ClF2OS2.C21H21O3S.5F6P/c1-38-26-11-19-30(20-12-26)40(29-17-9-25(10-18-29)33(34,35)36)31-21-15-28(16-22-31)39-27-13-7-24(8-14-27)32(37)23-5-3-2-4-6-23;1-35-26-10-18-30(19-11-26)38(31-20-12-27(36-2)13-21-31)32-22-16-29(17-23-32)37-28-14-8-25(9-15-28)33(34)24-6-4-3-5-7-24;1-24-8-18-30(19-9-24)36(31-20-10-25(2)11-21-31)32-22-16-29(17-23-32)35-28-14-12-27(13-15-28)33(34)26-6-4-3-5-7-26;32-29-20-22(31(35)21-4-2-1-3-5-21)6-19-30(29)36-25-11-17-28(18-12-25)37(26-13-7-23(33)8-14-26)27-15-9-24(34)10-16-27;1-23-17-5-11-20(12-6-17)25(19-9-3-16(15-22)4-10-19)21-13-7-18(24-2)8-14-21;5*1-7(2,3,4,5)6/h2-22H,1H3;3-23H,1-2H3;3-23H,1-2H3;1-20H;3-14,22H,15H2,1-2H3;;;;;/q5*+1;5*-1
InChIKeyKUDLAXPXFDEVGD-UHFFFAOYSA-N
XLogP56.45
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds37
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003237.46
LogP ≤ 556.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate 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

(4-benzoylphenyl)-(4-methoxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(4-benzoylphenyl)-(4-methylphenyl)-(4-phenylsulfanylphenyl)sulfanium;(4-benzoylphenyl)-(4-phenylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;tetrahexafluorophosphate
CID 162126913
[4-[2-chloro-4-(4-methylbenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 22619549
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;hexafluoroantimony(1-)
CID 16710497
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium hexafluorophosphate
CID 22619594
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
[4-(3-benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;hexafluoroantimony(1-)
CID 157235203
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
CID 172867106
[4-[2-fluoro-4-(4-methylbenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;trifluoromethanesulfonate
CID 161384051
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 163687570
[4-[4-(2-chlorobenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;4-methylbenzenesulfonate
CID 87401214
[4-[4-(2-chlorobenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 58693361

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate?
The IUPAC name of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate (CID 159787366) is [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate.
What is the SMILES notation for [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate?
The canonical SMILES for [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate is COc1ccc([S+](c2ccc(CO)cc2)c2ccc(OC)cc2)cc1.COc1ccc([S+](c2ccc(OC)cc2)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.COc1ccc([S+](c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)cc2)c(Cl)c1.
What is the InChIKey of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate?
The InChIKey is KUDLAXPXFDEVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F3O2S2.C33H27O3S2.C33H27OS2.C31H20ClF2OS2.C21H21O3S.5F6P/c1-38-26-11-19-30(20-12-26)40(29-17-9-25(10-18-29)33(34,35)36)31-21-15-28(16-22-31)39-27-13-7-24(8-14-27)32(37)23-5-3-2-4-6-23;1-35-26-10-18-30(19-11-26)38(31-20-12-27(36-2)13-21-31)32-22-16-29(17-23-32)37-28-14-8-25(9-15-28)33(34)24-6-4-3-5-7-24;1-24-8-18-30(19-9-24)36(31-20-10-25(2)11-21-31)32-22-16-29(17-23-32)35-28-14-12-27(13-15-28)33(34)26-6-4-3-5-7-26;32-29-20-22(31(35)21-4-2-1-3-5-21)6-19-30(29)36-25-11-17-28(18-12-25)37(26-13-7-23(33)8-14-26)27-15-9-24(34)10-16-27;1-23-17-5-11-20(12-6-17)25(19-9-3-16(15-22)4-10-19)21-13-7-18(24-2)8-14-21;5*1-7(2,3,4,5)6/h2-22H,1H3;3-23H,1-2H3;3-23H,1-2H3;1-20H;3-14,22H,15H2,1-2H3;;;;;/q5*+1;5*-1.
What are the key properties of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate?
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate has a molecular weight of 3237.46 g/mol, XLogP of 56.45, 37 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methoxyphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;[4-(hydroxymethyl)phenyl]-bis(4-methoxyphenyl)sulfanium;pentahexafluorophosphate is sourced from PubChem (CID 159787366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).