carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)

C25H37F2N2Y3-3 — CID 159524097

IUPACcarbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)
SMILESC[N+](C)(C)c1ccccc1.C[NH-].[18F]c1ccccc1.[18F]c1ccccc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C9H14N.2C6H5F.CH4N.3CH3.3Y/c1-10(2,3)9-7-5-4-6-8-9;2*7-6-4-2-1-3-5-6;1-2;;;;;;/h4-8H,1-3H3;2*1-5H;2H,1H3;3*1H3;;;/q+1;;;4*-1;;;/i;2*7-1;;;;;;;
InChIKeyQGOOXIFBZXNZPF-WPDCYMLESA-N
MW668.30 g/mol
LogP7.55
Rot. Bonds1

About carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)

carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium) (PubChem CID 159524097) has the molecular formula C25H37F2N2Y3-3 and a molecular weight of 668.30 g/mol. Its IUPAC name is carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium).

Molecular Properties

Compound Namecarbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)
PubChem CID159524097
Molecular FormulaC25H37F2N2Y3-3
Molecular Weight668.30 g/mol
Exact Mass668.02
IUPAC Namecarbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)
SMILESC[N+](C)(C)c1ccccc1.C[NH-].[18F]c1ccccc1.[18F]c1ccccc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C9H14N.2C6H5F.CH4N.3CH3.3Y/c1-10(2,3)9-7-5-4-6-8-9;2*7-6-4-2-1-3-5-6;1-2;;;;;;/h4-8H,1-3H3;2*1-5H;2H,1H3;3*1H3;;;/q+1;;;4*-1;;;/i;2*7-1;;;;;;;
InChIKeyQGOOXIFBZXNZPF-WPDCYMLESA-N
XLogP7.55
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.30
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium) 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

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
chloroalumane;trimethyl(phenyl)azanium;chloride
CID 173074857
azane;trimethyl(phenyl)azanium;hexafluorophosphate
CID 175267450
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
CID 66672523
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
oxalate;bis(trimethyl(phenyl)azanium)
CID 66900184
ethanolate;trimethyl(phenyl)azanium
CID 12512092
cobalt;fluorobenzene
CID 139244086
fluorobenzene fluoride
CID 139243602
fluorobenzene;nickel
CID 175250202
trimethyl-[4-(trimethylazaniumyl)phenyl]azanium diiodide
CID 21465

Frequently Asked Questions

What is the IUPAC name of carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)?
The IUPAC name of carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium) (CID 159524097) is carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium).
What is the SMILES notation for carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)?
The canonical SMILES for carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium) is C[N+](C)(C)c1ccccc1.C[NH-].[18F]c1ccccc1.[18F]c1ccccc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)?
The InChIKey is QGOOXIFBZXNZPF-WPDCYMLESA-N. The full InChI is InChI=1S/C9H14N.2C6H5F.CH4N.3CH3.3Y/c1-10(2,3)9-7-5-4-6-8-9;2*7-6-4-2-1-3-5-6;1-2;;;;;;/h4-8H,1-3H3;2*1-5H;2H,1H3;3*1H3;;;/q+1;;;4*-1;;;/i;2*7-1;;;;;;;.
What are the key properties of carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)?
carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium) has a molecular weight of 668.30 g/mol, XLogP of 7.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium) is sourced from PubChem (CID 159524097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).