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

C141H93F42S7+7 — CID 159676734

IUPACbis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium
SMILESCc1cc([S+](c2cc(C)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(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.Cc1cccc([S+](c2ccccc2)c2cccc(C(F)(F)F)c2)c1.Fc1cc(F)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1.Fc1cccc([S+](c2ccccc2)c2cccc(F)c2)c1
InChIInChI=1S/C24H15F12S.C22H14F9S.C21H15F6S.C20H16F3S.C18H9F6S.C18H11F4S.C18H13F2S/c1-12-3-14(21(25,26)27)8-18(5-12)37(19-6-13(2)4-15(9-19)22(28,29)30)20-10-16(23(31,32)33)7-17(11-20)24(34,35)36;1-13-7-14(20(23,24)25)10-18(8-13)32(17-5-3-2-4-6-17)19-11-15(21(26,27)28)9-16(12-19)22(29,30)31;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;1-15-7-5-11-18(13-15)24(17-9-3-2-4-10-17)19-12-6-8-16(14-19)20(21,22)23;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;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18;19-14-6-4-10-17(12-14)21(16-8-2-1-3-9-16)18-11-5-7-15(20)13-18/h3-11H,1-2H3;2-12H,1H3;2-13H,1H3;2-14H,1H3;1-9H;1-11H;1-13H/q7*+1
InChIKeyMURPOTZRVZVENZ-UHFFFAOYSA-N
MW2809.68 g/mol
LogP46.87
Rot. Bonds21

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

bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium (PubChem CID 159676734) has the molecular formula C141H93F42S7+7 and a molecular weight of 2809.68 g/mol. Its IUPAC name is bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium
PubChem CID159676734
Molecular FormulaC141H93F42S7+7
Molecular Weight2809.68 g/mol
Exact Mass2807.46
IUPAC Namebis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium
SMILESCc1cc([S+](c2cc(C)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(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.Cc1cccc([S+](c2ccccc2)c2cccc(C(F)(F)F)c2)c1.Fc1cc(F)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1.Fc1cccc([S+](c2ccccc2)c2cccc(F)c2)c1
InChIInChI=1S/C24H15F12S.C22H14F9S.C21H15F6S.C20H16F3S.C18H9F6S.C18H11F4S.C18H13F2S/c1-12-3-14(21(25,26)27)8-18(5-12)37(19-6-13(2)4-15(9-19)22(28,29)30)20-10-16(23(31,32)33)7-17(11-20)24(34,35)36;1-13-7-14(20(23,24)25)10-18(8-13)32(17-5-3-2-4-6-17)19-11-15(21(26,27)28)9-16(12-19)22(29,30)31;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;1-15-7-5-11-18(13-15)24(17-9-3-2-4-10-17)19-12-6-8-16(14-19)20(21,22)23;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;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18;19-14-6-4-10-17(12-14)21(16-8-2-1-3-9-16)18-11-5-7-15(20)13-18/h3-11H,1-2H3;2-12H,1H3;2-13H,1H3;2-14H,1H3;1-9H;1-11H;1-13H/q7*+1
InChIKeyMURPOTZRVZVENZ-UHFFFAOYSA-N
XLogP46.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002809.68
LogP ≤ 546.87
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)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium?
The IUPAC name of bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium (CID 159676734) is bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium.
What is the SMILES notation for bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium?
The canonical SMILES for bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium is Cc1cc([S+](c2cc(C)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Cc1cc([S+](c2ccccc2)c2cc(C(F)(F)F)cc(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.Cc1cccc([S+](c2ccccc2)c2cccc(C(F)(F)F)c2)c1.Fc1cc(F)cc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1.Fc1cccc([S+](c2ccccc2)c2cccc(F)c2)c1.
What is the InChIKey of bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium?
The InChIKey is MURPOTZRVZVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F12S.C22H14F9S.C21H15F6S.C20H16F3S.C18H9F6S.C18H11F4S.C18H13F2S/c1-12-3-14(21(25,26)27)8-18(5-12)37(19-6-13(2)4-15(9-19)22(28,29)30)20-10-16(23(31,32)33)7-17(11-20)24(34,35)36;1-13-7-14(20(23,24)25)10-18(8-13)32(17-5-3-2-4-6-17)19-11-15(21(26,27)28)9-16(12-19)22(29,30)31;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;1-15-7-5-11-18(13-15)24(17-9-3-2-4-10-17)19-12-6-8-16(14-19)20(21,22)23;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;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18;19-14-6-4-10-17(12-14)21(16-8-2-1-3-9-16)18-11-5-7-15(20)13-18/h3-11H,1-2H3;2-12H,1H3;2-13H,1H3;2-14H,1H3;1-9H;1-11H;1-13H/q7*+1.
What are the key properties of bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium?
bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium has a molecular weight of 2809.68 g/mol, XLogP of 46.87, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium is sourced from PubChem (CID 159676734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).