bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium

C90H57F18S5+5 — CID 157051550

IUPACbis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium
SMILESFc1cc(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.Fc1cc(F)cc([S+](c2ccccc2)c2ccccc2)c1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2F)c(F)c1.Fc1ccc([S+](c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C18H9F6S.2C18H11F4S.2C18H13F2S/c19-10-1-11(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;19-12-6-8-17(15(21)10-12)23(14-4-2-1-3-5-14)18-9-7-13(20)11-16(18)22;19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-9H;2*1-11H;2*1-13H/q5*+1
InChIKeyAAGPAQDHCCCFPU-UHFFFAOYSA-N
MW1640.74 g/mol
LogP26.41
Rot. Bonds15

About bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium

bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium (PubChem CID 157051550) has the molecular formula C90H57F18S5+5 and a molecular weight of 1640.74 g/mol. Its IUPAC name is bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium
PubChem CID157051550
Molecular FormulaC90H57F18S5+5
Molecular Weight1640.74 g/mol
Exact Mass1639.27
IUPAC Namebis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium
SMILESFc1cc(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.Fc1cc(F)cc([S+](c2ccccc2)c2ccccc2)c1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2F)c(F)c1.Fc1ccc([S+](c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C18H9F6S.2C18H11F4S.2C18H13F2S/c19-10-1-11(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;19-12-6-8-17(15(21)10-12)23(14-4-2-1-3-5-14)18-9-7-13(20)11-16(18)22;19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-9H;2*1-11H;2*1-13H/q5*+1
InChIKeyAAGPAQDHCCCFPU-UHFFFAOYSA-N
XLogP26.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001640.74
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium?
The IUPAC name of bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium (CID 157051550) is bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium.
What is the SMILES notation for bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium?
The canonical SMILES for bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium is 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.Fc1cc(F)cc([S+](c2ccccc2)c2ccccc2)c1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2F)c(F)c1.Fc1ccc([S+](c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium?
The InChIKey is AAGPAQDHCCCFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6S.2C18H11F4S.2C18H13F2S/c19-10-1-11(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;19-12-6-8-17(15(21)10-12)23(14-4-2-1-3-5-14)18-9-7-13(20)11-16(18)22;19-14-11-15(20)13-18(12-14)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-9H;2*1-11H;2*1-13H/q5*+1.
What are the key properties of bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium?
bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium has a molecular weight of 1640.74 g/mol, XLogP of 26.41, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;(2,4-difluorophenyl)-diphenylsulfanium;(3,5-difluorophenyl)-diphenylsulfanium;tris(3,5-difluorophenyl)sulfanium is sourced from PubChem (CID 157051550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).