bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium

C217H152F30S12+12 — CID 167710915

IUPACbis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium
SMILESCc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1.Fc1cc(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1.Fc1cc([S+](c2ccccc2)c2ccccc2)cc(F)c1F.Fc1ccc(F)c([S+](c2ccccc2)c2ccccc2)c1.Fc1ccc([S+](c2ccc(F)cc2)c2cc(F)cc(F)c2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)c(F)c1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.Fc1cccc(F)c1[S+](c1ccccc1)c1ccccc1.Fc1cccc([S+](c2ccccc2)c2ccccc2)c1F.Fc1ccccc1[S+](c1ccccc1)c1ccccc1.Fc1ccccc1[S+](c1ccccc1)c1ccccc1F.Fc1ccccc1[S+](c1ccccc1F)c1ccccc1F
InChIInChI=1S/C19H13F4S.C18H11F4S.3C18H12F3S.6C18H13F2S.C18H14FS/c1-12-2-4-17(5-3-12)24(18-8-13(20)6-14(21)9-18)19-10-15(22)7-16(23)11-19;19-12-1-5-16(6-2-12)23(17-7-3-13(20)4-8-17)18-10-14(21)9-15(22)11-18;19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21;19-13-11-16(20)18(17(21)12-13)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-16-11-15(12-17(20)18(16)21)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14;19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-16-12-7-13-17(20)18(16)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h2-11H,1H3;1-11H;3*1-12H;6*1-13H;1-14H/q12*+1
InChIKeyZVBYOUBWHSGESV-UHFFFAOYSA-N
MW3714.35 g/mol
LogP61.87
Rot. Bonds36

About bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium

bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium (PubChem CID 167710915) has the molecular formula C217H152F30S12+12 and a molecular weight of 3714.35 g/mol. Its IUPAC name is bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium
PubChem CID167710915
Molecular FormulaC217H152F30S12+12
Molecular Weight3714.35 g/mol
Exact Mass3710.80
IUPAC Namebis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium
SMILESCc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1.Fc1cc(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1.Fc1cc([S+](c2ccccc2)c2ccccc2)cc(F)c1F.Fc1ccc(F)c([S+](c2ccccc2)c2ccccc2)c1.Fc1ccc([S+](c2ccc(F)cc2)c2cc(F)cc(F)c2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)c(F)c1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.Fc1cccc(F)c1[S+](c1ccccc1)c1ccccc1.Fc1cccc([S+](c2ccccc2)c2ccccc2)c1F.Fc1ccccc1[S+](c1ccccc1)c1ccccc1.Fc1ccccc1[S+](c1ccccc1)c1ccccc1F.Fc1ccccc1[S+](c1ccccc1F)c1ccccc1F
InChIInChI=1S/C19H13F4S.C18H11F4S.3C18H12F3S.6C18H13F2S.C18H14FS/c1-12-2-4-17(5-3-12)24(18-8-13(20)6-14(21)9-18)19-10-15(22)7-16(23)11-19;19-12-1-5-16(6-2-12)23(17-7-3-13(20)4-8-17)18-10-14(21)9-15(22)11-18;19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21;19-13-11-16(20)18(17(21)12-13)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-16-11-15(12-17(20)18(16)21)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14;19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-16-12-7-13-17(20)18(16)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h2-11H,1H3;1-11H;3*1-12H;6*1-13H;1-14H/q12*+1
InChIKeyZVBYOUBWHSGESV-UHFFFAOYSA-N
XLogP61.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms259
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003714.35
LogP ≤ 561.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium?
The IUPAC name of bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium (CID 167710915) is bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium.
What is the SMILES notation for bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium?
The canonical SMILES for bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium is Cc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1.Fc1cc(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1.Fc1cc([S+](c2ccccc2)c2ccccc2)cc(F)c1F.Fc1ccc(F)c([S+](c2ccccc2)c2ccccc2)c1.Fc1ccc([S+](c2ccc(F)cc2)c2cc(F)cc(F)c2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)c(F)c1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.Fc1cccc(F)c1[S+](c1ccccc1)c1ccccc1.Fc1cccc([S+](c2ccccc2)c2ccccc2)c1F.Fc1ccccc1[S+](c1ccccc1)c1ccccc1.Fc1ccccc1[S+](c1ccccc1)c1ccccc1F.Fc1ccccc1[S+](c1ccccc1F)c1ccccc1F.
What is the InChIKey of bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium?
The InChIKey is ZVBYOUBWHSGESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4S.C18H11F4S.3C18H12F3S.6C18H13F2S.C18H14FS/c1-12-2-4-17(5-3-12)24(18-8-13(20)6-14(21)9-18)19-10-15(22)7-16(23)11-19;19-12-1-5-16(6-2-12)23(17-7-3-13(20)4-8-17)18-10-14(21)9-15(22)11-18;19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21;19-13-11-16(20)18(17(21)12-13)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-16-11-15(12-17(20)18(16)21)22(13-7-3-1-4-8-13)14-9-5-2-6-10-14;19-16-12-7-13-17(18(16)20)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-16-12-7-13-17(20)18(16)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h2-11H,1H3;1-11H;3*1-12H;6*1-13H;1-14H/q12*+1.
What are the key properties of bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium?
bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium has a molecular weight of 3714.35 g/mol, XLogP of 61.87, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluorophenyl)-(4-methylphenyl)sulfanium;bis(2-fluorophenyl)-phenylsulfanium;(3,5-difluorophenyl)-bis(4-fluorophenyl)sulfanium;(2,3-difluorophenyl)-diphenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(2,5-difluorophenyl)-diphenylsulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(3,4-difluorophenyl)-diphenylsulfanium;diphenyl-(2,4,6-trifluorophenyl)sulfanium;diphenyl-(3,4,5-trifluorophenyl)sulfanium;(2-fluorophenyl)-diphenylsulfanium;tris(2-fluorophenyl)sulfanium is sourced from PubChem (CID 167710915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).