2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium

C156H140P8+8 — CID 91315511

IUPAC2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
SMILESc1ccc([P+](CC[P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.c1ccc([P+](CC[P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/2C78H70P4/c2*1-11-31-69(32-12-1)79(70-33-13-2-14-34-70,61-65-51-55-67(56-52-65)63-81(73-39-19-5-20-40-73,74-41-21-6-22-42-74)75-43-23-7-24-44-75)59-60-80(71-35-15-3-16-36-71,72-37-17-4-18-38-72)62-66-53-57-68(58-54-66)64-82(76-45-25-8-26-46-76,77-47-27-9-28-48-77)78-49-29-10-30-50-78/h2*1-58H,59-64H2/q2*+4
InChIKeyVOPHPHZVPSQOOJ-UHFFFAOYSA-N
MW2262.63 g/mol
LogP31.42
Rot. Bonds42

About 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium

2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium (PubChem CID 91315511) has the molecular formula C156H140P8+8 and a molecular weight of 2262.63 g/mol. Its IUPAC name is 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Name2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
PubChem CID91315511
Molecular FormulaC156H140P8+8
Molecular Weight2262.63 g/mol
Exact Mass2260.88
IUPAC Name2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
SMILESc1ccc([P+](CC[P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.c1ccc([P+](CC[P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/2C78H70P4/c2*1-11-31-69(32-12-1)79(70-33-13-2-14-34-70,61-65-51-55-67(56-52-65)63-81(73-39-19-5-20-40-73,74-41-21-6-22-42-74)75-43-23-7-24-44-75)59-60-80(71-35-15-3-16-36-71,72-37-17-4-18-38-72)62-66-53-57-68(58-54-66)64-82(76-45-25-8-26-46-76,77-47-27-9-28-48-77)78-49-29-10-30-50-78/h2*1-58H,59-64H2/q2*+4
InChIKeyVOPHPHZVPSQOOJ-UHFFFAOYSA-N
XLogP31.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds42
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002262.63
LogP ≤ 531.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium with MolForge

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Related Compounds

benzyl-[4-[benzyl(diphenyl)phosphaniumyl]butyl]-diphenylphosphanium;methane
CID 158974758
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
triphenyl-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethyl]phosphanium;triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 162256436
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium?
The IUPAC name of 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium (CID 91315511) is 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium.
What is the SMILES notation for 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium?
The canonical SMILES for 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium is c1ccc([P+](CC[P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.c1ccc([P+](CC[P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium?
The InChIKey is VOPHPHZVPSQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H70P4/c2*1-11-31-69(32-12-1)79(70-33-13-2-14-34-70,61-65-51-55-67(56-52-65)63-81(73-39-19-5-20-40-73,74-41-21-6-22-42-74)75-43-23-7-24-44-75)59-60-80(71-35-15-3-16-36-71,72-37-17-4-18-38-72)62-66-53-57-68(58-54-66)64-82(76-45-25-8-26-46-76,77-47-27-9-28-48-77)78-49-29-10-30-50-78/h2*1-58H,59-64H2/q2*+4.
What are the key properties of 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium?
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium has a molecular weight of 2262.63 g/mol, XLogP of 31.42, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium is sourced from PubChem (CID 91315511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).