benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane

C44H50P2+2 — CID 158974758

IUPACbenzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane
SMILESC.C.c1ccc(C[P+](CCCC[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H42P2.2CH4/c1-7-21-37(22-8-1)35-43(39-25-11-3-12-26-39,40-27-13-4-14-28-40)33-19-20-34-44(41-29-15-5-16-30-41,42-31-17-6-18-32-42)36-38-23-9-2-10-24-38;;/h1-18,21-32H,19-20,33-36H2;2*1H4/q+2;;
InChIKeyJOGFZRVNEAXGQU-UHFFFAOYSA-N
MW640.83 g/mol
LogP10.78
Rot. Bonds13

About benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane

benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane (PubChem CID 158974758) has the molecular formula C44H50P2+2 and a molecular weight of 640.83 g/mol. Its IUPAC name is benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane.

Molecular Properties

Compound Namebenzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane
PubChem CID158974758
Molecular FormulaC44H50P2+2
Molecular Weight640.83 g/mol
Exact Mass640.34
IUPAC Namebenzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane
SMILESC.C.c1ccc(C[P+](CCCC[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H42P2.2CH4/c1-7-21-37(22-8-1)35-43(39-25-11-3-12-26-39,40-27-13-4-14-28-40)33-19-20-34-44(41-29-15-5-16-30-41,42-31-17-6-18-32-42)36-38-23-9-2-10-24-38;;/h1-18,21-32H,19-20,33-36H2;2*1H4/q+2;;
InChIKeyJOGFZRVNEAXGQU-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium
CID 6332715
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570

Frequently Asked Questions

What is the IUPAC name of benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane?
The IUPAC name of benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane (CID 158974758) is benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane.
What is the SMILES notation for benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane?
The canonical SMILES for benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane is C.C.c1ccc(C[P+](CCCC[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane?
The InChIKey is JOGFZRVNEAXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42P2.2CH4/c1-7-21-37(22-8-1)35-43(39-25-11-3-12-26-39,40-27-13-4-14-28-40)33-19-20-34-44(41-29-15-5-16-30-41,42-31-17-6-18-32-42)36-38-23-9-2-10-24-38;;/h1-18,21-32H,19-20,33-36H2;2*1H4/q+2;;.
What are the key properties of benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane?
benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane has a molecular weight of 640.83 g/mol, XLogP of 10.78, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane is sourced from PubChem (CID 158974758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).