CID 123390746

C24H18BO2 — CID 123390746

IUPAC—
SMILESO[B]Oc1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H18BO2/c26-25-27-24-16-22(19-9-5-2-6-10-19)15-23(17-24)21-13-11-20(12-14-21)18-7-3-1-4-8-18/h1-17,26H
InChIKeyHZWHMUUOKLFSSL-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.59
Rot. Bonds5

About CID 123390746

CID 123390746 (PubChem CID 123390746) has the molecular formula C24H18BO2 and a molecular weight of 349.22 g/mol.

Molecular Properties

Compound NameCID 123390746
PubChem CID123390746
Molecular FormulaC24H18BO2
Molecular Weight349.22 g/mol
Exact Mass349.14
IUPAC Name—
SMILESO[B]Oc1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H18BO2/c26-25-27-24-16-22(19-9-5-2-6-10-19)15-23(17-24)21-13-11-20(12-14-21)18-7-3-1-4-8-18/h1-17,26H
InChIKeyHZWHMUUOKLFSSL-UHFFFAOYSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 CID 123390746?
The IUPAC name of CID 123390746 (CID 123390746) is not available.
What is the SMILES notation for CID 123390746?
The canonical SMILES for CID 123390746 is O[B]Oc1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of CID 123390746?
The InChIKey is HZWHMUUOKLFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BO2/c26-25-27-24-16-22(19-9-5-2-6-10-19)15-23(17-24)21-13-11-20(12-14-21)18-7-3-1-4-8-18/h1-17,26H.
What are the key properties of CID 123390746?
CID 123390746 has a molecular weight of 349.22 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123390746 is sourced from PubChem (CID 123390746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).