tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)

C152H128B4F4N8O24S8 — CID 21285772

IUPACtetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)
SMILESO=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C19H16NO2S.4BFO2/c8*21-20(22)17-13-11-16(12-14-17)15-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19;4*2-1(3)4/h8*1-14H,15H2;;;;/q8*+1;4*-2
InChIKeyMSUAAZONKHPHQL-UHFFFAOYSA-N
MW2826.50 g/mol
LogP29.30
Rot. Bonds40

About tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)

tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium) (PubChem CID 21285772) has the molecular formula C152H128B4F4N8O24S8 and a molecular weight of 2826.50 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)
PubChem CID21285772
Molecular FormulaC152H128B4F4N8O24S8
Molecular Weight2826.50 g/mol
Exact Mass2824.71
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)
SMILESO=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C19H16NO2S.4BFO2/c8*21-20(22)17-13-11-16(12-14-17)15-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19;4*2-1(3)4/h8*1-14H,15H2;;;;/q8*+1;4*-2
InChIKeyMSUAAZONKHPHQL-UHFFFAOYSA-N
XLogP29.30
TPSA529.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.50
LogP ≤ 529.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-methyl-(4-nitrophenyl)sulfanium
CID 101001906
iron;methane;nitrobenzene
CID 175081715
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
arsane;nitrobenzene
CID 174282180
azane;nitrobenzene
CID 23197461
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702
azanium nitrobenzene
CID 22989049
formyl chloride;nitrobenzene;hydrate
CID 158709717
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
1-benzyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
CID 6939615
carbonic acid;methane;nitrobenzene
CID 173344007

Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium) (CID 21285772) is tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium) is O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)?
The InChIKey is MSUAAZONKHPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C19H16NO2S.4BFO2/c8*21-20(22)17-13-11-16(12-14-17)15-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19;4*2-1(3)4/h8*1-14H,15H2;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium)?
tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium) has a molecular weight of 2826.50 g/mol, XLogP of 29.30, 40 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis((4-nitrophenyl)methyl-diphenylsulfanium) is sourced from PubChem (CID 21285772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).