bis(4-tert-butylphenyl)-diphenylboranuide

C32H36B- — CID 176879927

IUPACbis(4-tert-butylphenyl)-diphenylboranuide
SMILESCC(C)(C)c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C32H36B/c1-31(2,3)25-17-21-29(22-18-25)33(27-13-9-7-10-14-27,28-15-11-8-12-16-28)30-23-19-26(20-24-30)32(4,5)6/h7-24H,1-6H3/q-1
InChIKeyUFZMDARNSVVWDZ-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.66
Rot. Bonds4

About bis(4-tert-butylphenyl)-diphenylboranuide

bis(4-tert-butylphenyl)-diphenylboranuide (PubChem CID 176879927) has the molecular formula C32H36B- and a molecular weight of 431.45 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-diphenylboranuide.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-diphenylboranuide
PubChem CID176879927
Molecular FormulaC32H36B-
Molecular Weight431.45 g/mol
Exact Mass431.29
IUPAC Namebis(4-tert-butylphenyl)-diphenylboranuide
SMILESCC(C)(C)c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C32H36B/c1-31(2,3)25-17-21-29(22-18-25)33(27-13-9-7-10-14-27,28-15-11-8-12-16-28)30-23-19-26(20-24-30)32(4,5)6/h7-24H,1-6H3/q-1
InChIKeyUFZMDARNSVVWDZ-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.66
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

tetrakis(4-tert-butylphenyl)boranuide
CID 4260042
1-tert-butyl-4-iodobenzene;tetraphenylboranuide
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(3,5-ditert-butylphenyl)-triphenylboranuide
CID 140663046
tert-butyliodanium;tetraphenylboranuide
CID 156646741
tetraphenylboranuide;tritert-butylphosphane
CID 86674235
methanamine;tetraphenylboranuide
CID 175835863
ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide
CID 163300031
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
calcium;tetraphenylboranuide;iodide
CID 23136649
CID 171375456
CID 171375456
CID 174934257
CID 174934257
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-diphenylboranuide?
The IUPAC name of bis(4-tert-butylphenyl)-diphenylboranuide (CID 176879927) is bis(4-tert-butylphenyl)-diphenylboranuide.
What is the SMILES notation for bis(4-tert-butylphenyl)-diphenylboranuide?
The canonical SMILES for bis(4-tert-butylphenyl)-diphenylboranuide is CC(C)(C)c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-diphenylboranuide?
The InChIKey is UFZMDARNSVVWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36B/c1-31(2,3)25-17-21-29(22-18-25)33(27-13-9-7-10-14-27,28-15-11-8-12-16-28)30-23-19-26(20-24-30)32(4,5)6/h7-24H,1-6H3/q-1.
What are the key properties of bis(4-tert-butylphenyl)-diphenylboranuide?
bis(4-tert-butylphenyl)-diphenylboranuide has a molecular weight of 431.45 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-diphenylboranuide is sourced from PubChem (CID 176879927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).