cyclohexyl(triphenyl)boranuide

C24H26B- — CID 18982282

IUPACcyclohexyl(triphenyl)boranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H26B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q-1
InChIKeyAXVWUGKQOJIELR-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.49
Rot. Bonds4

About cyclohexyl(triphenyl)boranuide

cyclohexyl(triphenyl)boranuide (PubChem CID 18982282) has the molecular formula C24H26B- and a molecular weight of 325.28 g/mol. Its IUPAC name is cyclohexyl(triphenyl)boranuide.

Molecular Properties

Compound Namecyclohexyl(triphenyl)boranuide
PubChem CID18982282
Molecular FormulaC24H26B-
Molecular Weight325.28 g/mol
Exact Mass325.21
IUPAC Namecyclohexyl(triphenyl)boranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H26B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q-1
InChIKeyAXVWUGKQOJIELR-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(triphenyl)boranuide?
The IUPAC name of cyclohexyl(triphenyl)boranuide (CID 18982282) is cyclohexyl(triphenyl)boranuide.
What is the SMILES notation for cyclohexyl(triphenyl)boranuide?
The canonical SMILES for cyclohexyl(triphenyl)boranuide is c1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl(triphenyl)boranuide?
The InChIKey is AXVWUGKQOJIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-3,5-10,13-18,24H,4,11-12,19-20H2/q-1.
What are the key properties of cyclohexyl(triphenyl)boranuide?
cyclohexyl(triphenyl)boranuide has a molecular weight of 325.28 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(triphenyl)boranuide is sourced from PubChem (CID 18982282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).