bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium

C194H129F49S10+10 — CID 167690005

IUPACbis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium
SMILESCc1cc([S+](c2cccc(C(F)(F)F)c2)c2cc(C)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc([S+](c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cccc([S+](c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c1.FC(F)(F)c1cccc([S+](c2ccccc2)c2cccc(C(F)(F)F)c2)c1.Fc1cc(F)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cccc(F)c1[S+](c1ccccc1)c1ccccc1.Fc1cccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cccc([S+](c2cccc(F)c2)c2cccc(F)c2)c1.Fc1cccc([S+](c2ccccc2)c2cccc(F)c2)c1.Fc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16F9S.C22H14F9S.C21H15F6S.C20H13F6S.C18H9F6S.C18H10F5S.C18H12F3S.2C18H13F2S.C18H14FS/c1-13-6-16(22(27,28)29)11-19(8-13)33(18-5-3-4-15(10-18)21(24,25)26)20-9-14(2)7-17(12-20)23(30,31)32;1-13-8-16(22(29,30)31)12-19(9-13)32(17-6-2-4-14(10-17)20(23,24)25)18-7-3-5-15(11-18)21(26,27)28;1-14-5-2-8-17(11-14)28(18-9-3-6-15(12-18)20(22,23)24)19-10-4-7-16(13-19)21(25,26)27;21-19(22,23)14-6-4-10-17(12-14)27(16-8-2-1-3-9-16)18-11-5-7-15(13-18)20(24,25)26;19-10-1-11(20)5-16(4-10)25(17-6-12(21)2-13(22)7-17)18-8-14(23)3-15(24)9-18;19-11-2-1-3-16(6-11)24(17-7-12(20)4-13(21)8-17)18-9-14(22)5-15(23)10-18;19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18;19-16-12-7-13-17(20)18(16)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-14-6-4-10-17(12-14)21(16-8-2-1-3-9-16)18-11-5-7-15(20)13-18;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h3-12H,1-2H3;2-12H,1H3;2-13H,1H3;1-13H;1-9H;1-10H;1-12H;2*1-13H;1-14H/q10*+1
InChIKeyWUCVSLYNFFEYFF-UHFFFAOYSA-N
MW3711.74 g/mol
LogP61.88
Rot. Bonds30

About bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium

bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium (PubChem CID 167690005) has the molecular formula C194H129F49S10+10 and a molecular weight of 3711.74 g/mol. Its IUPAC name is bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium
PubChem CID167690005
Molecular FormulaC194H129F49S10+10
Molecular Weight3711.74 g/mol
Exact Mass3708.65
IUPAC Namebis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium
SMILESCc1cc([S+](c2cccc(C(F)(F)F)c2)c2cc(C)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc([S+](c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cccc([S+](c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c1.FC(F)(F)c1cccc([S+](c2ccccc2)c2cccc(C(F)(F)F)c2)c1.Fc1cc(F)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cccc(F)c1[S+](c1ccccc1)c1ccccc1.Fc1cccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cccc([S+](c2cccc(F)c2)c2cccc(F)c2)c1.Fc1cccc([S+](c2ccccc2)c2cccc(F)c2)c1.Fc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16F9S.C22H14F9S.C21H15F6S.C20H13F6S.C18H9F6S.C18H10F5S.C18H12F3S.2C18H13F2S.C18H14FS/c1-13-6-16(22(27,28)29)11-19(8-13)33(18-5-3-4-15(10-18)21(24,25)26)20-9-14(2)7-17(12-20)23(30,31)32;1-13-8-16(22(29,30)31)12-19(9-13)32(17-6-2-4-14(10-17)20(23,24)25)18-7-3-5-15(11-18)21(26,27)28;1-14-5-2-8-17(11-14)28(18-9-3-6-15(12-18)20(22,23)24)19-10-4-7-16(13-19)21(25,26)27;21-19(22,23)14-6-4-10-17(12-14)27(16-8-2-1-3-9-16)18-11-5-7-15(13-18)20(24,25)26;19-10-1-11(20)5-16(4-10)25(17-6-12(21)2-13(22)7-17)18-8-14(23)3-15(24)9-18;19-11-2-1-3-16(6-11)24(17-7-12(20)4-13(21)8-17)18-9-14(22)5-15(23)10-18;19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18;19-16-12-7-13-17(20)18(16)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-14-6-4-10-17(12-14)21(16-8-2-1-3-9-16)18-11-5-7-15(20)13-18;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h3-12H,1-2H3;2-12H,1H3;2-13H,1H3;1-13H;1-9H;1-10H;1-12H;2*1-13H;1-14H/q10*+1
InChIKeyWUCVSLYNFFEYFF-UHFFFAOYSA-N
XLogP61.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms253
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003711.74
LogP ≤ 561.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium?
The IUPAC name of bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium (CID 167690005) is bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium.
What is the SMILES notation for bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium?
The canonical SMILES for bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium is Cc1cc([S+](c2cccc(C(F)(F)F)c2)c2cc(C)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc([S+](c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cccc([S+](c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c1.FC(F)(F)c1cccc([S+](c2ccccc2)c2cccc(C(F)(F)F)c2)c1.Fc1cc(F)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cccc(F)c1[S+](c1ccccc1)c1ccccc1.Fc1cccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cccc([S+](c2cccc(F)c2)c2cccc(F)c2)c1.Fc1cccc([S+](c2ccccc2)c2cccc(F)c2)c1.Fc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium?
The InChIKey is WUCVSLYNFFEYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F9S.C22H14F9S.C21H15F6S.C20H13F6S.C18H9F6S.C18H10F5S.C18H12F3S.2C18H13F2S.C18H14FS/c1-13-6-16(22(27,28)29)11-19(8-13)33(18-5-3-4-15(10-18)21(24,25)26)20-9-14(2)7-17(12-20)23(30,31)32;1-13-8-16(22(29,30)31)12-19(9-13)32(17-6-2-4-14(10-17)20(23,24)25)18-7-3-5-15(11-18)21(26,27)28;1-14-5-2-8-17(11-14)28(18-9-3-6-15(12-18)20(22,23)24)19-10-4-7-16(13-19)21(25,26)27;21-19(22,23)14-6-4-10-17(12-14)27(16-8-2-1-3-9-16)18-11-5-7-15(13-18)20(24,25)26;19-10-1-11(20)5-16(4-10)25(17-6-12(21)2-13(22)7-17)18-8-14(23)3-15(24)9-18;19-11-2-1-3-16(6-11)24(17-7-12(20)4-13(21)8-17)18-9-14(22)5-15(23)10-18;19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18;19-16-12-7-13-17(20)18(16)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15;19-14-6-4-10-17(12-14)21(16-8-2-1-3-9-16)18-11-5-7-15(20)13-18;19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h3-12H,1-2H3;2-12H,1H3;2-13H,1H3;1-13H;1-9H;1-10H;1-12H;2*1-13H;1-14H/q10*+1.
What are the key properties of bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium?
bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium has a molecular weight of 3711.74 g/mol, XLogP of 61.88, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluorophenyl)-(3-fluorophenyl)sulfanium;bis(3-fluorophenyl)-phenylsulfanium;bis[3-methyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]sulfanium;(2,6-difluorophenyl)-diphenylsulfanium;(2-fluorophenyl)-diphenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-bis[3-(trifluoromethyl)phenyl]sulfanium;phenyl-bis[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium;tris(3-fluorophenyl)sulfanium is sourced from PubChem (CID 167690005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).