tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium

C52H48BP — CID 23075127

IUPACtetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium
SMILESCc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28B.C24H20P/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-5-13-21(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/h5-20H,1-4H3;1-20H/q-1;+1
InChIKeyFAYPBNFHFCEUQZ-UHFFFAOYSA-N
MW714.74 g/mol
LogP8.60
Rot. Bonds8

About tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium

tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium (PubChem CID 23075127) has the molecular formula C52H48BP and a molecular weight of 714.74 g/mol. Its IUPAC name is tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium.

Molecular Properties

Compound Nametetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium
PubChem CID23075127
Molecular FormulaC52H48BP
Molecular Weight714.74 g/mol
Exact Mass714.36
IUPAC Nametetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium
SMILESCc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28B.C24H20P/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-5-13-21(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/h5-20H,1-4H3;1-20H/q-1;+1
InChIKeyFAYPBNFHFCEUQZ-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.74
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium?
The IUPAC name of tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium (CID 23075127) is tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium.
What is the SMILES notation for tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium?
The canonical SMILES for tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium is Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium?
The InChIKey is FAYPBNFHFCEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28B.C24H20P/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-5-13-21(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/h5-20H,1-4H3;1-20H/q-1;+1.
What are the key properties of tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium?
tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium has a molecular weight of 714.74 g/mol, XLogP of 8.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium is sourced from PubChem (CID 23075127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).