methyl-tris(4-methylphenyl)boranuide

C22H24B- — CID 11027958

IUPACmethyl-tris(4-methylphenyl)boranuide
SMILESCc1ccc([B-](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24B/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22/h5-16H,1-4H3/q-1
InChIKeyAGJOSILXJUAAHU-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.71
Rot. Bonds3

About methyl-tris(4-methylphenyl)boranuide

methyl-tris(4-methylphenyl)boranuide (PubChem CID 11027958) has the molecular formula C22H24B- and a molecular weight of 299.25 g/mol. Its IUPAC name is methyl-tris(4-methylphenyl)boranuide.

Molecular Properties

Compound Namemethyl-tris(4-methylphenyl)boranuide
PubChem CID11027958
Molecular FormulaC22H24B-
Molecular Weight299.25 g/mol
Exact Mass299.20
IUPAC Namemethyl-tris(4-methylphenyl)boranuide
SMILESCc1ccc([B-](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24B/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22/h5-16H,1-4H3/q-1
InChIKeyAGJOSILXJUAAHU-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-tris(4-methylphenyl)boranuide 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

cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
trimethoxy-(4-methylphenyl)boranuide
CID 101038733
N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide
CID 175771685
benzene;bis(1,4-xylene)
CID 159472747
potassium;hydride;1,4-xylene
CID 173420414
lithium;hydride;1,4-xylene
CID 173349078
ethane;methanol;1,4-xylene
CID 171074418
N-methylmethanamine;1,4-xylene
CID 66760370
tetrakis(4-methylphenyl)boranuide;triethylazanium
CID 21469884
butyl-tris(4-methylphenyl)boranuide
CID 18400281

Frequently Asked Questions

What is the IUPAC name of methyl-tris(4-methylphenyl)boranuide?
The IUPAC name of methyl-tris(4-methylphenyl)boranuide (CID 11027958) is methyl-tris(4-methylphenyl)boranuide.
What is the SMILES notation for methyl-tris(4-methylphenyl)boranuide?
The canonical SMILES for methyl-tris(4-methylphenyl)boranuide is Cc1ccc([B-](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl-tris(4-methylphenyl)boranuide?
The InChIKey is AGJOSILXJUAAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24B/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22/h5-16H,1-4H3/q-1.
What are the key properties of methyl-tris(4-methylphenyl)boranuide?
methyl-tris(4-methylphenyl)boranuide has a molecular weight of 299.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(4-methylphenyl)boranuide is sourced from PubChem (CID 11027958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).