(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

C117H90F30O5P4S7 — CID 162126913

IUPAC(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
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1.Cc1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)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.O=C(c1ccccc1)c1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C32H22F3OS2.C32H25O2S2.C32H25OS2.C21H18F3OS.4F6P/c33-32(34,35)25-13-19-29(20-14-25)38(30-21-15-27(16-22-30)37-26-9-5-2-6-10-26)28-17-11-24(12-18-28)31(36)23-7-3-1-4-8-23;1-34-26-14-20-30(21-15-26)36(31-22-16-28(17-23-31)35-27-10-6-3-7-11-27)29-18-12-25(13-19-29)32(33)24-8-4-2-5-9-24;1-24-12-18-29(19-13-24)35(31-22-16-28(17-23-31)34-27-10-6-3-7-11-27)30-20-14-26(15-21-30)32(33)25-8-4-2-5-9-25;1-15-3-9-18(10-4-15)26(20-13-7-17(25-2)8-14-20)19-11-5-16(6-12-19)21(22,23)24;4*1-7(2,3,4,5)6/h1-22H;2-23H,1H3;2-23H,1H3;3-14H,1-2H3;;;;/q4*+1;4*-1
InChIKeyDYTCFZUYWKLEIC-UHFFFAOYSA-N
MW2494.31 g/mol
LogP45.48
Rot. Bonds26

About (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

(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 (PubChem CID 162126913) has the molecular formula C117H90F30O5P4S7 and a molecular weight of 2494.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162126913
Molecular FormulaC117H90F30O5P4S7
Molecular Weight2494.31 g/mol
Exact Mass2492.33
IUPAC Name(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
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1.Cc1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)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.O=C(c1ccccc1)c1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C32H22F3OS2.C32H25O2S2.C32H25OS2.C21H18F3OS.4F6P/c33-32(34,35)25-13-19-29(20-14-25)38(30-21-15-27(16-22-30)37-26-9-5-2-6-10-26)28-17-11-24(12-18-28)31(36)23-7-3-1-4-8-23;1-34-26-14-20-30(21-15-26)36(31-22-16-28(17-23-31)35-27-10-6-3-7-11-27)29-18-12-25(13-19-29)32(33)24-8-4-2-5-9-24;1-24-12-18-29(19-13-24)35(31-22-16-28(17-23-31)34-27-10-6-3-7-11-27)30-20-14-26(15-21-30)32(33)25-8-4-2-5-9-25;1-15-3-9-18(10-4-15)26(20-13-7-17(25-2)8-14-20)19-11-5-16(6-12-19)21(22,23)24;4*1-7(2,3,4,5)6/h1-22H;2-23H,1H3;2-23H,1H3;3-14H,1-2H3;;;;/q4*+1;4*-1
InChIKeyDYTCFZUYWKLEIC-UHFFFAOYSA-N
XLogP45.48
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002494.31
LogP ≤ 545.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

[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
[4-(3-benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;hexafluoroantimony(1-)
CID 157235203
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
(4-phenylsulfanylphenyl)-(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium hexafluorophosphate
CID 162329267
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium
CID 160516311
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenoxy]phenyl]-phenylsulfanium
CID 157231516
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium
CID 160603208
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
CID 157116832
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc([S+](c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1.Cc1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(=O)c3ccccc3)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.O=C(c1ccccc1)c1ccc([S+](c2ccc(Sc3ccccc3)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (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?
The InChIKey is DYTCFZUYWKLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F3OS2.C32H25O2S2.C32H25OS2.C21H18F3OS.4F6P/c33-32(34,35)25-13-19-29(20-14-25)38(30-21-15-27(16-22-30)37-26-9-5-2-6-10-26)28-17-11-24(12-18-28)31(36)23-7-3-1-4-8-23;1-34-26-14-20-30(21-15-26)36(31-22-16-28(17-23-31)35-27-10-6-3-7-11-27)29-18-12-25(13-19-29)32(33)24-8-4-2-5-9-24;1-24-12-18-29(19-13-24)35(31-22-16-28(17-23-31)34-27-10-6-3-7-11-27)30-20-14-26(15-21-30)32(33)25-8-4-2-5-9-25;1-15-3-9-18(10-4-15)26(20-13-7-17(25-2)8-14-20)19-11-5-16(6-12-19)21(22,23)24;4*1-7(2,3,4,5)6/h1-22H;2-23H,1H3;2-23H,1H3;3-14H,1-2H3;;;;/q4*+1;4*-1.
What are the key properties of (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?
(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 has a molecular weight of 2494.31 g/mol, XLogP of 45.48, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162126913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).