CID 25068654

C33H19F24PS2 — CID 25068654

IUPAC—
SMILESFC(F)(F)C(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19S2.C9F24P/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;10-1(11,4(16,17)18)7(25,26)34(31,32,33,8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24/h1-19H;/q+1;-1
InChIKeyVERFGDVEZCXTBO-UHFFFAOYSA-N
MW966.57 g/mol
LogP16.03
Rot. Bonds11

About CID 25068654

CID 25068654 (PubChem CID 25068654) has the molecular formula C33H19F24PS2 and a molecular weight of 966.57 g/mol.

Molecular Properties

Compound NameCID 25068654
PubChem CID25068654
Molecular FormulaC33H19F24PS2
Molecular Weight966.57 g/mol
Exact Mass966.03
IUPAC Name—
SMILESFC(F)(F)C(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19S2.C9F24P/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;10-1(11,4(16,17)18)7(25,26)34(31,32,33,8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24/h1-19H;/q+1;-1
InChIKeyVERFGDVEZCXTBO-UHFFFAOYSA-N
XLogP16.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.57
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl-bis(4-phenylsulfanylphenyl)sulfanium
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bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
diphenyl-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanium;hexafluoroantimony(1-)
CID 71301088
antimony(5+);diphenyl-(4-phenylsulfanylphenyl)sulfanium;hexafluoride
CID 170839043
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium diiodide
CID 71358485
diphenyl-[4-(4-phenylsulfanylphenyl)phenyl]sulfanium
CID 140741745
bis(4-diphenylsulfoniophenyl)-phenylsulfanium;diphenyl-[4-[phenyl-(4-phenylsulfanylphenyl)sulfonio]phenyl]sulfanium;(4-diphenylsulfoniophenyl)-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium
CID 158008394
(4-phenylsulfanylphenyl)-(4-propan-2-ylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium hexafluorophosphate
CID 162329267
diphenyl-[4-(4-phenylsulfanylphenyl)sulfoniophenyl]sulfanium
CID 145340200
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris(4-phenylsulfanylphenyl)sulfanium
CID 159347520
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 159479771
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090

Frequently Asked Questions

What is the IUPAC name of CID 25068654?
The IUPAC name of CID 25068654 (CID 25068654) is not available.
What is the SMILES notation for CID 25068654?
The canonical SMILES for CID 25068654 is FC(F)(F)C(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of CID 25068654?
The InChIKey is VERFGDVEZCXTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19S2.C9F24P/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;10-1(11,4(16,17)18)7(25,26)34(31,32,33,8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24/h1-19H;/q+1;-1.
What are the key properties of CID 25068654?
CID 25068654 has a molecular weight of 966.57 g/mol, XLogP of 16.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25068654 is sourced from PubChem (CID 25068654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).