boric acid;tetrakis(4-chlorophenyl)azanium

C24H19BCl4NO3+ — CID 174966384

IUPACboric acid;tetrakis(4-chlorophenyl)azanium
SMILESClc1ccc([N+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.OB(O)O
InChIInChI=1S/C24H16Cl4N.BH3O3/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24;2-1(3)4/h1-16H;2-4H/q+1;
InChIKeyVVAKANURMYDHFH-UHFFFAOYSA-N
MW522.04 g/mol
LogP7.55
Rot. Bonds4

About boric acid;tetrakis(4-chlorophenyl)azanium

boric acid;tetrakis(4-chlorophenyl)azanium (PubChem CID 174966384) has the molecular formula C24H19BCl4NO3+ and a molecular weight of 522.04 g/mol. Its IUPAC name is boric acid;tetrakis(4-chlorophenyl)azanium.

Molecular Properties

Compound Nameboric acid;tetrakis(4-chlorophenyl)azanium
PubChem CID174966384
Molecular FormulaC24H19BCl4NO3+
Molecular Weight522.04 g/mol
Exact Mass520.02
IUPAC Nameboric acid;tetrakis(4-chlorophenyl)azanium
SMILESClc1ccc([N+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.OB(O)O
InChIInChI=1S/C24H16Cl4N.BH3O3/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24;2-1(3)4/h1-16H;2-4H/q+1;
InChIKeyVVAKANURMYDHFH-UHFFFAOYSA-N
XLogP7.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.04
LogP ≤ 57.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of boric acid;tetrakis(4-chlorophenyl)azanium?
The IUPAC name of boric acid;tetrakis(4-chlorophenyl)azanium (CID 174966384) is boric acid;tetrakis(4-chlorophenyl)azanium.
What is the SMILES notation for boric acid;tetrakis(4-chlorophenyl)azanium?
The canonical SMILES for boric acid;tetrakis(4-chlorophenyl)azanium is Clc1ccc([N+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.OB(O)O.
What is the InChIKey of boric acid;tetrakis(4-chlorophenyl)azanium?
The InChIKey is VVAKANURMYDHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl4N.BH3O3/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24;2-1(3)4/h1-16H;2-4H/q+1;.
What are the key properties of boric acid;tetrakis(4-chlorophenyl)azanium?
boric acid;tetrakis(4-chlorophenyl)azanium has a molecular weight of 522.04 g/mol, XLogP of 7.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tetrakis(4-chlorophenyl)azanium is sourced from PubChem (CID 174966384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).