potassium tetrakis(4-phenylphenyl)boranuide

C48H36BK — CID 23681134

IUPACpotassium tetrakis(4-phenylphenyl)boranuide
SMILES[K+].c1ccc(-c2ccc([B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H36B.K/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;/h1-36H;/q-1;+1
InChIKeyFMJZZAIWRYCJQG-UHFFFAOYSA-N
MW662.73 g/mol
LogP6.74
Rot. Bonds8

About potassium tetrakis(4-phenylphenyl)boranuide

potassium tetrakis(4-phenylphenyl)boranuide (PubChem CID 23681134) has the molecular formula C48H36BK and a molecular weight of 662.73 g/mol. Its IUPAC name is potassium tetrakis(4-phenylphenyl)boranuide.

Molecular Properties

Compound Namepotassium tetrakis(4-phenylphenyl)boranuide
PubChem CID23681134
Molecular FormulaC48H36BK
Molecular Weight662.73 g/mol
Exact Mass662.25
IUPAC Namepotassium tetrakis(4-phenylphenyl)boranuide
SMILES[K+].c1ccc(-c2ccc([B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H36B.K/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;/h1-36H;/q-1;+1
InChIKeyFMJZZAIWRYCJQG-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 56.74
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 potassium tetrakis(4-phenylphenyl)boranuide?
The IUPAC name of potassium tetrakis(4-phenylphenyl)boranuide (CID 23681134) is potassium tetrakis(4-phenylphenyl)boranuide.
What is the SMILES notation for potassium tetrakis(4-phenylphenyl)boranuide?
The canonical SMILES for potassium tetrakis(4-phenylphenyl)boranuide is [K+].c1ccc(-c2ccc([B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of potassium tetrakis(4-phenylphenyl)boranuide?
The InChIKey is FMJZZAIWRYCJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36B.K/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;/h1-36H;/q-1;+1.
What are the key properties of potassium tetrakis(4-phenylphenyl)boranuide?
potassium tetrakis(4-phenylphenyl)boranuide has a molecular weight of 662.73 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tetrakis(4-phenylphenyl)boranuide is sourced from PubChem (CID 23681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).