CID 174934257

C24H20B2Na — CID 174934257

IUPAC—
SMILES[B].[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.B.Na/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;;/h1-20H;;/q-1;;+1
InChIKeyNGUMTFUZXLBDIQ-UHFFFAOYSA-N
MW353.04 g/mol
LogP-0.31
Rot. Bonds4

About CID 174934257

CID 174934257 (PubChem CID 174934257) has the molecular formula C24H20B2Na and a molecular weight of 353.04 g/mol.

Molecular Properties

Compound NameCID 174934257
PubChem CID174934257
Molecular FormulaC24H20B2Na
Molecular Weight353.04 g/mol
Exact Mass353.16
IUPAC Name—
SMILES[B].[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.B.Na/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;;/h1-20H;;/q-1;;+1
InChIKeyNGUMTFUZXLBDIQ-UHFFFAOYSA-N
XLogP-0.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 5-0.31
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

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CID 11005281
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CID 156646741
tetraphenylboranuide;tritert-butylphosphane
CID 86674235
tetraphenylboranuide;triethylazanium
CID 11080326
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Frequently Asked Questions

What is the IUPAC name of CID 174934257?
The IUPAC name of CID 174934257 (CID 174934257) is not available.
What is the SMILES notation for CID 174934257?
The canonical SMILES for CID 174934257 is [B].[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 174934257?
The InChIKey is NGUMTFUZXLBDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.B.Na/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;;/h1-20H;;/q-1;;+1.
What are the key properties of CID 174934257?
CID 174934257 has a molecular weight of 353.04 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174934257 is sourced from PubChem (CID 174934257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).