benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium

C168H125F21I18N6O25S12 — CID 161051920

IUPACbenzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium
SMILESFc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([SH+]c2ccc(F)cc2)cc1.Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1O.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([SH+]c2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C18H14FS.C18H14IS.C18H13S.C18H15S.C12H8F2S.C12H10S.5C10H6F3I3NO4S.C10H7F3I2NO5S.2C6H6/c2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5*11-10(12,13)22(19,20)17-1-2-21-9(18)6-3-5(14)4-7(15)8(6)16;11-10(12,13)22(19,20)16-1-2-21-9(18)6-3-5(14)4-7(15)8(6)17;2*1-2-4-6-5-3-1/h2*1-14H;1-13H;1-15H;1-8H;1-10H;5*3-4H,1-2H2;3-4H,1-2H2,(H,17,18);2*1-6H/q4*+1;;;6*-1;;/p+2
InChIKeyUCGBGFXWGXHNIT-UHFFFAOYSA-P
MW5695.90 g/mol
LogP52.70
Rot. Bonds44

About benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium

benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium (PubChem CID 161051920) has the molecular formula C168H125F21I18N6O25S12 and a molecular weight of 5695.90 g/mol. Its IUPAC name is benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium.

Molecular Properties

Compound Namebenzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium
PubChem CID161051920
Molecular FormulaC168H125F21I18N6O25S12
Molecular Weight5695.90 g/mol
Exact Mass5692.78
IUPAC Namebenzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium
SMILESFc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([SH+]c2ccc(F)cc2)cc1.Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1O.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([SH+]c2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C18H14FS.C18H14IS.C18H13S.C18H15S.C12H8F2S.C12H10S.5C10H6F3I3NO4S.C10H7F3I2NO5S.2C6H6/c2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5*11-10(12,13)22(19,20)17-1-2-21-9(18)6-3-5(14)4-7(15)8(6)16;11-10(12,13)22(19,20)16-1-2-21-9(18)6-3-5(14)4-7(15)8(6)17;2*1-2-4-6-5-3-1/h2*1-14H;1-13H;1-15H;1-8H;1-10H;5*3-4H,1-2H2;3-4H,1-2H2,(H,17,18);2*1-6H/q4*+1;;;6*-1;;/p+2
InChIKeyUCGBGFXWGXHNIT-UHFFFAOYSA-P
XLogP52.70
TPSA467.47 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005695.90
LogP ≤ 552.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium?
The IUPAC name of benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium (CID 161051920) is benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium.
What is the SMILES notation for benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium?
The canonical SMILES for benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium is Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([SH+]c2ccc(F)cc2)cc1.Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1cc(I)cc(I)c1O.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([SH+]c2ccccc2)cc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium?
The InChIKey is UCGBGFXWGXHNIT-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H14FS.C18H14IS.C18H13S.C18H15S.C12H8F2S.C12H10S.5C10H6F3I3NO4S.C10H7F3I2NO5S.2C6H6/c2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5*11-10(12,13)22(19,20)17-1-2-21-9(18)6-3-5(14)4-7(15)8(6)16;11-10(12,13)22(19,20)16-1-2-21-9(18)6-3-5(14)4-7(15)8(6)17;2*1-2-4-6-5-3-1/h2*1-14H;1-13H;1-15H;1-8H;1-10H;5*3-4H,1-2H2;3-4H,1-2H2,(H,17,18);2*1-6H/q4*+1;;;6*-1;;/p+2.
What are the key properties of benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium?
benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium has a molecular weight of 5695.90 g/mol, XLogP of 52.70, 44 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(4-fluorophenyl)sulfanium;diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;(4-iodophenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;pentakis(trifluoromethylsulfonyl-[2-(2,3,5-triiodobenzoyl)oxyethyl]azanide);triphenylsulfanium is sourced from PubChem (CID 161051920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).