ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide

C34H44BP — CID 163300031

IUPACditert-butyl(dimethyl)phosphanium;tetraphenylboranuide
SMILESCC(C)(C)[P+](C)(C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C10H24P/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;1-9(2,3)11(7,8)10(4,5)6/h1-20H;1-8H3/q-1;+1
InChIKeyDFDXCBCVBYVHRL-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.92
Rot. Bonds4

About ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide

ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide (PubChem CID 163300031) has the molecular formula C34H44BP and a molecular weight of 494.51 g/mol. Its IUPAC name is ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide.

Molecular Properties

Compound Nameditert-butyl(dimethyl)phosphanium;tetraphenylboranuide
PubChem CID163300031
Molecular FormulaC34H44BP
Molecular Weight494.51 g/mol
Exact Mass494.33
IUPAC Nameditert-butyl(dimethyl)phosphanium;tetraphenylboranuide
SMILESCC(C)(C)[P+](C)(C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C10H24P/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;1-9(2,3)11(7,8)10(4,5)6/h1-20H;1-8H3/q-1;+1
InChIKeyDFDXCBCVBYVHRL-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.92
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 ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide?
The IUPAC name of ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide (CID 163300031) is ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide.
What is the SMILES notation for ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide?
The canonical SMILES for ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide is CC(C)(C)[P+](C)(C)C(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide?
The InChIKey is DFDXCBCVBYVHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C10H24P/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;1-9(2,3)11(7,8)10(4,5)6/h1-20H;1-8H3/q-1;+1.
What are the key properties of ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide?
ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide has a molecular weight of 494.51 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide is sourced from PubChem (CID 163300031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).