tris(amino(diphenyl)sulfanium);trifluoride

C36H36F3N3S3 — CID 173182070

IUPACtris(amino(diphenyl)sulfanium);trifluoride
SMILESN[S+](c1ccccc1)c1ccccc1.N[S+](c1ccccc1)c1ccccc1.N[S+](c1ccccc1)c1ccccc1.[F-].[F-].[F-]
InChIInChI=1S/3C12H12NS.3FH/c3*13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h3*1-10H,13H2;3*1H/q3*+1;;;/p-3
InChIKeyYGFWMYJRVAURED-UHFFFAOYSA-K
MW663.90 g/mol
LogP-1.20
Rot. Bonds6

About tris(amino(diphenyl)sulfanium);trifluoride

tris(amino(diphenyl)sulfanium);trifluoride (PubChem CID 173182070) has the molecular formula C36H36F3N3S3 and a molecular weight of 663.90 g/mol. Its IUPAC name is tris(amino(diphenyl)sulfanium);trifluoride.

Molecular Properties

Compound Nametris(amino(diphenyl)sulfanium);trifluoride
PubChem CID173182070
Molecular FormulaC36H36F3N3S3
Molecular Weight663.90 g/mol
Exact Mass663.20
IUPAC Nametris(amino(diphenyl)sulfanium);trifluoride
SMILESN[S+](c1ccccc1)c1ccccc1.N[S+](c1ccccc1)c1ccccc1.N[S+](c1ccccc1)c1ccccc1.[F-].[F-].[F-]
InChIInChI=1S/3C12H12NS.3FH/c3*13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h3*1-10H,13H2;3*1H/q3*+1;;;/p-3
InChIKeyYGFWMYJRVAURED-UHFFFAOYSA-K
XLogP-1.20
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.90
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;tris(1,1'-biphenyl)
CID 162155747
bis(1,1'-biphenyl);phosphonous acid
CID 175129558
bis(1,1'-biphenyl);sulfane
CID 22247507
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975
CID 53446764
CID 53446764
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
1,4-diphenylbenzene;ethane;methanamine
CID 168951795

Frequently Asked Questions

What is the IUPAC name of tris(amino(diphenyl)sulfanium);trifluoride?
The IUPAC name of tris(amino(diphenyl)sulfanium);trifluoride (CID 173182070) is tris(amino(diphenyl)sulfanium);trifluoride.
What is the SMILES notation for tris(amino(diphenyl)sulfanium);trifluoride?
The canonical SMILES for tris(amino(diphenyl)sulfanium);trifluoride is N[S+](c1ccccc1)c1ccccc1.N[S+](c1ccccc1)c1ccccc1.N[S+](c1ccccc1)c1ccccc1.[F-].[F-].[F-].
What is the InChIKey of tris(amino(diphenyl)sulfanium);trifluoride?
The InChIKey is YGFWMYJRVAURED-UHFFFAOYSA-K. The full InChI is InChI=1S/3C12H12NS.3FH/c3*13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h3*1-10H,13H2;3*1H/q3*+1;;;/p-3.
What are the key properties of tris(amino(diphenyl)sulfanium);trifluoride?
tris(amino(diphenyl)sulfanium);trifluoride has a molecular weight of 663.90 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(amino(diphenyl)sulfanium);trifluoride is sourced from PubChem (CID 173182070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).