nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate

C63H45B4F16Mo2N9 — CID 11982199

IUPACnonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Mo+2].[Mo+2]
InChIInChI=1S/9C7H5N.4BF4.2Mo/c9*8-6-7-4-2-1-3-5-7;4*2-1(3,4)5;;/h9*1-5H;;;;;;/q;;;;;;;;;4*-1;2*+2
InChIKeyBZVRMLLWFFMZMJ-UHFFFAOYSA-N
MW1467.21 g/mol
LogP19.22
Rot. Bonds

About nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate

nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate (PubChem CID 11982199) has the molecular formula C63H45B4F16Mo2N9 and a molecular weight of 1467.21 g/mol. Its IUPAC name is nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate.

Molecular Properties

Compound Namenonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
PubChem CID11982199
Molecular FormulaC63H45B4F16Mo2N9
Molecular Weight1467.21 g/mol
Exact Mass1471.20
IUPAC Namenonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Mo+2].[Mo+2]
InChIInChI=1S/9C7H5N.4BF4.2Mo/c9*8-6-7-4-2-1-3-5-7;4*2-1(3,4)5;;/h9*1-5H;;;;;;/q;;;;;;;;;4*-1;2*+2
InChIKeyBZVRMLLWFFMZMJ-UHFFFAOYSA-N
XLogP19.22
TPSA214.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001467.21
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate 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

tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
(14N)benzonitrile
CID 102268532
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate
CID 11320626
benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate
CID 10996681
benzonitrile;hypoiodous acid
CID 174504508
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
sodium;benzonitrile;ethane
CID 174741528
bis(benzonitrile);dibromonickel
CID 22599309
sodium;benzonitrile;azide
CID 158967715

Frequently Asked Questions

What is the IUPAC name of nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate?
The IUPAC name of nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate (CID 11982199) is nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate.
What is the SMILES notation for nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate?
The canonical SMILES for nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Mo+2].[Mo+2].
What is the InChIKey of nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate?
The InChIKey is BZVRMLLWFFMZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/9C7H5N.4BF4.2Mo/c9*8-6-7-4-2-1-3-5-7;4*2-1(3,4)5;;/h9*1-5H;;;;;;/q;;;;;;;;;4*-1;2*+2.
What are the key properties of nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate?
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate has a molecular weight of 1467.21 g/mol, XLogP of 19.22, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate is sourced from PubChem (CID 11982199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).