butyl-tris(4-methylphenyl)boranuide

C25H30B- — CID 18400281

IUPACbutyl-tris(4-methylphenyl)boranuide
SMILESCCCC[B-](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H30B/c1-5-6-19-26(23-13-7-20(2)8-14-23,24-15-9-21(3)10-16-24)25-17-11-22(4)12-18-25/h7-18H,5-6,19H2,1-4H3/q-1
InChIKeyCNYFOKPHONPWOA-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.88
Rot. Bonds6

About butyl-tris(4-methylphenyl)boranuide

butyl-tris(4-methylphenyl)boranuide (PubChem CID 18400281) has the molecular formula C25H30B- and a molecular weight of 341.33 g/mol. Its IUPAC name is butyl-tris(4-methylphenyl)boranuide.

Molecular Properties

Compound Namebutyl-tris(4-methylphenyl)boranuide
PubChem CID18400281
Molecular FormulaC25H30B-
Molecular Weight341.33 g/mol
Exact Mass341.24
IUPAC Namebutyl-tris(4-methylphenyl)boranuide
SMILESCCCC[B-](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C25H30B/c1-5-6-19-26(23-13-7-20(2)8-14-23,24-15-9-21(3)10-16-24)25-17-11-22(4)12-18-25/h7-18H,5-6,19H2,1-4H3/q-1
InChIKeyCNYFOKPHONPWOA-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(triphenyl)phosphanium;butyl-tris(4-methylphenyl)boranuide
CID 139835897
lithium butyl(triphenyl)boranuide
CID 23668465
butyl-tris(3-methylphenyl)boranuide
CID 139835830
tris(4-methoxyphenyl)-octylboranuide
CID 18400265
formaldehyde;hexane;1,4-xylene
CID 143308406
1-chloro-4-methylbenzene;pentane
CID 142041532
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309
butyl-phenoxy-phenylsulfanium;butyl(triphenyl)boranuide
CID 19047905
methyl-tris(4-methylphenyl)boranuide
CID 11027958
tetrakis(4-methylphenyl)boranuide;triethylazanium
CID 21469884
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251

Frequently Asked Questions

What is the IUPAC name of butyl-tris(4-methylphenyl)boranuide?
The IUPAC name of butyl-tris(4-methylphenyl)boranuide (CID 18400281) is butyl-tris(4-methylphenyl)boranuide.
What is the SMILES notation for butyl-tris(4-methylphenyl)boranuide?
The canonical SMILES for butyl-tris(4-methylphenyl)boranuide is CCCC[B-](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of butyl-tris(4-methylphenyl)boranuide?
The InChIKey is CNYFOKPHONPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30B/c1-5-6-19-26(23-13-7-20(2)8-14-23,24-15-9-21(3)10-16-24)25-17-11-22(4)12-18-25/h7-18H,5-6,19H2,1-4H3/q-1.
What are the key properties of butyl-tris(4-methylphenyl)boranuide?
butyl-tris(4-methylphenyl)boranuide has a molecular weight of 341.33 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tris(4-methylphenyl)boranuide is sourced from PubChem (CID 18400281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).