butyl(triphenyl)boranuide

C22H24B- — CID 10508044

IUPACbutyl(triphenyl)boranuide
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24B/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q-1
InChIKeyBNIJFMSELULSLU-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.96
Rot. Bonds6

About butyl(triphenyl)boranuide

butyl(triphenyl)boranuide (PubChem CID 10508044) has the molecular formula C22H24B- and a molecular weight of 299.25 g/mol. Its IUPAC name is butyl(triphenyl)boranuide.

Molecular Properties

Compound Namebutyl(triphenyl)boranuide
PubChem CID10508044
Molecular FormulaC22H24B-
Molecular Weight299.25 g/mol
Exact Mass299.20
IUPAC Namebutyl(triphenyl)boranuide
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24B/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q-1
InChIKeyBNIJFMSELULSLU-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.96
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

Triphenyltin Chloride
CID 12540
Triphenylphosphine
CID 11776
Triphenyltin hydroxide
CID 9907219
Triphenylantimony
CID 11777
Triphenyltin fluoride
CID 9786
Triphenylbismuth
CID 11774
Triphenylantimony dichloride
CID 11662
Triphenylarsine
CID 11773
Sodium Tetraphenylborate
CID 2723787
Triphenylborane
CID 70400
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenylphosphonium
CID 164912

Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)boranuide?
The IUPAC name of butyl(triphenyl)boranuide (CID 10508044) is butyl(triphenyl)boranuide.
What is the SMILES notation for butyl(triphenyl)boranuide?
The canonical SMILES for butyl(triphenyl)boranuide is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl(triphenyl)boranuide?
The InChIKey is BNIJFMSELULSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24B/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q-1.
What are the key properties of butyl(triphenyl)boranuide?
butyl(triphenyl)boranuide has a molecular weight of 299.25 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)boranuide is sourced from PubChem (CID 10508044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).