diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate

C25H20F3O3PS2 — CID 159138448

IUPACdiphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1ccc(-c2ccc(S[PH+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19PS.CHF3O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)26-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2-1(3,4)8(5,6)7/h1-19H;(H,5,6,7)
InChIKeyKHUJBGFDNXSMAL-UHFFFAOYSA-N
MW520.53 g/mol
LogP6.28
Rot. Bonds5

About diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate

diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate (PubChem CID 159138448) has the molecular formula C25H20F3O3PS2 and a molecular weight of 520.53 g/mol. Its IUPAC name is diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namediphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate
PubChem CID159138448
Molecular FormulaC25H20F3O3PS2
Molecular Weight520.53 g/mol
Exact Mass520.05
IUPAC Namediphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1ccc(-c2ccc(S[PH+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19PS.CHF3O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)26-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2-1(3,4)8(5,6)7/h1-19H;(H,5,6,7)
InChIKeyKHUJBGFDNXSMAL-UHFFFAOYSA-N
XLogP6.28
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

CID 158705201
CID 158705201
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diphenylsulfanium;trifluoromethanesulfonate
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phenyl-bis(4-propylphenyl)phosphanium;trifluoromethanesulfonate
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[4-(2-phenylphenyl)phenyl]sulfanyl trifluoromethanesulfonate
CID 142735421
iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium;trifluoromethanesulfonate
CID 44888171
trifluoromethanesulfonate;2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanamine
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CID 12655994

Frequently Asked Questions

What is the IUPAC name of diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate?
The IUPAC name of diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate (CID 159138448) is diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate.
What is the SMILES notation for diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate?
The canonical SMILES for diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.c1ccc(-c2ccc(S[PH+](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate?
The InChIKey is KHUJBGFDNXSMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19PS.CHF3O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)26-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2-1(3,4)8(5,6)7/h1-19H;(H,5,6,7).
What are the key properties of diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate?
diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate has a molecular weight of 520.53 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(4-phenylphenyl)sulfanylphosphanium;trifluoromethanesulfonate is sourced from PubChem (CID 159138448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).