benzhydrylphosphanyl-dimethyl-phenylphosphanium

C21H23P2+ — CID 174158660

IUPACbenzhydrylphosphanyl-dimethyl-phenylphosphanium
SMILESC[P+](C)(PC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23P2/c1-23(2,20-16-10-5-11-17-20)22-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/q+1
InChIKeyFEEIRXDXMYXLCQ-UHFFFAOYSA-N
MW337.36 g/mol
LogP5.97
Rot. Bonds5

About benzhydrylphosphanyl-dimethyl-phenylphosphanium

benzhydrylphosphanyl-dimethyl-phenylphosphanium (PubChem CID 174158660) has the molecular formula C21H23P2+ and a molecular weight of 337.36 g/mol. Its IUPAC name is benzhydrylphosphanyl-dimethyl-phenylphosphanium.

Molecular Properties

Compound Namebenzhydrylphosphanyl-dimethyl-phenylphosphanium
PubChem CID174158660
Molecular FormulaC21H23P2+
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Namebenzhydrylphosphanyl-dimethyl-phenylphosphanium
SMILESC[P+](C)(PC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23P2/c1-23(2,20-16-10-5-11-17-20)22-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/q+1
InChIKeyFEEIRXDXMYXLCQ-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.36
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzhydryl(methyl)phosphane
CID 143530235
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
methylphosphanyl(triphenyl)phosphanium bromide
CID 174748079
benzhydrylphosphinous acid
CID 158752392
cumene;ethane
CID 54306132
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344

Frequently Asked Questions

What is the IUPAC name of benzhydrylphosphanyl-dimethyl-phenylphosphanium?
The IUPAC name of benzhydrylphosphanyl-dimethyl-phenylphosphanium (CID 174158660) is benzhydrylphosphanyl-dimethyl-phenylphosphanium.
What is the SMILES notation for benzhydrylphosphanyl-dimethyl-phenylphosphanium?
The canonical SMILES for benzhydrylphosphanyl-dimethyl-phenylphosphanium is C[P+](C)(PC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylphosphanyl-dimethyl-phenylphosphanium?
The InChIKey is FEEIRXDXMYXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23P2/c1-23(2,20-16-10-5-11-17-20)22-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/q+1.
What are the key properties of benzhydrylphosphanyl-dimethyl-phenylphosphanium?
benzhydrylphosphanyl-dimethyl-phenylphosphanium has a molecular weight of 337.36 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylphosphanyl-dimethyl-phenylphosphanium is sourced from PubChem (CID 174158660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).