boranuide;triphenyl(trityl)phosphanium

C37H34BP — CID 173280182

IUPACboranuide;triphenyl(trityl)phosphanium
SMILES[BH4-].c1ccc(C(c2ccccc2)(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H30P.BH4/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H4/q+1;-1
InChIKeyNQUBZIJGJNKHRK-UHFFFAOYSA-N
MW520.47 g/mol
LogP6.52
Rot. Bonds7

About boranuide;triphenyl(trityl)phosphanium

boranuide;triphenyl(trityl)phosphanium (PubChem CID 173280182) has the molecular formula C37H34BP and a molecular weight of 520.47 g/mol. Its IUPAC name is boranuide;triphenyl(trityl)phosphanium.

Molecular Properties

Compound Nameboranuide;triphenyl(trityl)phosphanium
PubChem CID173280182
Molecular FormulaC37H34BP
Molecular Weight520.47 g/mol
Exact Mass520.25
IUPAC Nameboranuide;triphenyl(trityl)phosphanium
SMILES[BH4-].c1ccc(C(c2ccccc2)(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H30P.BH4/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H4/q+1;-1
InChIKeyNQUBZIJGJNKHRK-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 56.52
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl(trichloromethyl)phosphanium
CID 23415418
[dibromo(triphenylphosphaniumyl)methyl]-triphenylphosphanium;dihydrobromide
CID 126956918
triphenyl(trifluoromethyl)phosphanium bromide
CID 175212392
trimethyl(trityl)phosphanium fluoride
CID 18356035
(chloro-phenoxy-phenylmethyl)-triphenylphosphanium bromide
CID 88775751
triethyl(trityl)phosphanium
CID 18355930
sulfuryl dichloride;tritylbenzene
CID 174476389
iodo-diphenyl-[3-(trifluoromethyl)phenyl]phosphanium
CID 91571703
triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium
CID 166960898
palladium;tetraphenylphosphanium
CID 76575044
CID 142554279
CID 142554279
trityl hypobromite
CID 21394946

Frequently Asked Questions

What is the IUPAC name of boranuide;triphenyl(trityl)phosphanium?
The IUPAC name of boranuide;triphenyl(trityl)phosphanium (CID 173280182) is boranuide;triphenyl(trityl)phosphanium.
What is the SMILES notation for boranuide;triphenyl(trityl)phosphanium?
The canonical SMILES for boranuide;triphenyl(trityl)phosphanium is [BH4-].c1ccc(C(c2ccccc2)(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of boranuide;triphenyl(trityl)phosphanium?
The InChIKey is NQUBZIJGJNKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30P.BH4/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H4/q+1;-1.
What are the key properties of boranuide;triphenyl(trityl)phosphanium?
boranuide;triphenyl(trityl)phosphanium has a molecular weight of 520.47 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;triphenyl(trityl)phosphanium is sourced from PubChem (CID 173280182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).