boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)

C12H30B3U — CID 134902011

IUPACboranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
SMILESCc1c(C)c(C)c(C)c(C)c1C.[BH4-].[BH4-].[BH4-].[U+3]
InChIInChI=1S/C12H18.3BH4.U/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;;/h1-6H3;3*1H4;/q;3*-1;+3
InChIKeyVTEYPHOFTVIVEY-UHFFFAOYSA-N
MW444.84 g/mol
LogP-0.82
Rot. Bonds

About boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)

boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+) (PubChem CID 134902011) has the molecular formula C12H30B3U and a molecular weight of 444.84 g/mol. Its IUPAC name is boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+).

Molecular Properties

Compound Nameboranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
PubChem CID134902011
Molecular FormulaC12H30B3U
Molecular Weight444.84 g/mol
Exact Mass445.31
IUPAC Nameboranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
SMILESCc1c(C)c(C)c(C)c(C)c1C.[BH4-].[BH4-].[BH4-].[U+3]
InChIInChI=1S/C12H18.3BH4.U/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;;/h1-6H3;3*1H4;/q;3*-1;+3
InChIKeyVTEYPHOFTVIVEY-UHFFFAOYSA-N
XLogP-0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+) 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

ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
CID 11072056
CID 18722884
CID 18722884
carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
CID 11747742
methane;bis(1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene)
CID 163470623
1,2,3,4,5,6-hexamethylbenzene;bis(tetrachloroalumanuide);titanium(2+)
CID 16687457
1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
CID 159624345

Frequently Asked Questions

What is the IUPAC name of boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)?
The IUPAC name of boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+) (CID 134902011) is boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+).
What is the SMILES notation for boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)?
The canonical SMILES for boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+) is Cc1c(C)c(C)c(C)c(C)c1C.[BH4-].[BH4-].[BH4-].[U+3].
What is the InChIKey of boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)?
The InChIKey is VTEYPHOFTVIVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.3BH4.U/c1-7-8(2)10(4)12(6)11(5)9(7)3;;;;/h1-6H3;3*1H4;/q;3*-1;+3.
What are the key properties of boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)?
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+) has a molecular weight of 444.84 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+) is sourced from PubChem (CID 134902011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).