calcium;tetraphenylboranuide;iodide

C24H20BCaI — CID 23136649

IUPACcalcium;tetraphenylboranuide;iodide
SMILES[Ca+2].[I-].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.Ca.HI/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;;1H/q-1;+2;/p-1
InChIKeyUUGFSHVPKWMOPZ-UHFFFAOYSA-M
MW486.22 g/mol
LogP-0.31
Rot. Bonds4

About calcium;tetraphenylboranuide;iodide

calcium;tetraphenylboranuide;iodide (PubChem CID 23136649) has the molecular formula C24H20BCaI and a molecular weight of 486.22 g/mol. Its IUPAC name is calcium;tetraphenylboranuide;iodide.

Molecular Properties

Compound Namecalcium;tetraphenylboranuide;iodide
PubChem CID23136649
Molecular FormulaC24H20BCaI
Molecular Weight486.22 g/mol
Exact Mass486.03
IUPAC Namecalcium;tetraphenylboranuide;iodide
SMILES[Ca+2].[I-].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.Ca.HI/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;;1H/q-1;+2;/p-1
InChIKeyUUGFSHVPKWMOPZ-UHFFFAOYSA-M
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 ≤ 500486.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;tetraphenylboranuide;iodide?
The IUPAC name of calcium;tetraphenylboranuide;iodide (CID 23136649) is calcium;tetraphenylboranuide;iodide.
What is the SMILES notation for calcium;tetraphenylboranuide;iodide?
The canonical SMILES for calcium;tetraphenylboranuide;iodide is [Ca+2].[I-].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of calcium;tetraphenylboranuide;iodide?
The InChIKey is UUGFSHVPKWMOPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20B.Ca.HI/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;;1H/q-1;+2;/p-1.
What are the key properties of calcium;tetraphenylboranuide;iodide?
calcium;tetraphenylboranuide;iodide has a molecular weight of 486.22 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 calcium;tetraphenylboranuide;iodide is sourced from PubChem (CID 23136649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).