[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium

C64H52P2+2 — CID 90305713

IUPAC[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
SMILESc1ccc(/C(=C(/c2ccccc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C64H52P2/c1-9-25-53(26-10-1)63(55-45-41-51(42-46-55)49-65(57-29-13-3-14-30-57,58-31-15-4-16-32-58)59-33-17-5-18-34-59)64(54-27-11-2-12-28-54)56-47-43-52(44-48-56)50-66(60-35-19-6-20-36-60,61-37-21-7-22-38-61)62-39-23-8-24-40-62/h1-48H,49-50H2/q+2/b64-63+
InChIKeyOKQCGACBQBLXNT-ZOPJMJKSSA-N
MW883.07 g/mol
LogP13.68
Rot. Bonds14

About [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium

[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium (PubChem CID 90305713) has the molecular formula C64H52P2+2 and a molecular weight of 883.07 g/mol. Its IUPAC name is [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
PubChem CID90305713
Molecular FormulaC64H52P2+2
Molecular Weight883.07 g/mol
Exact Mass882.35
IUPAC Name[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
SMILESc1ccc(/C(=C(/c2ccccc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C64H52P2/c1-9-25-53(26-10-1)63(55-45-41-51(42-46-55)49-65(57-29-13-3-14-30-57,58-31-15-4-16-32-58)59-33-17-5-18-34-59)64(54-27-11-2-12-28-54)56-47-43-52(44-48-56)50-66(60-35-19-6-20-36-60,61-37-21-7-22-38-61)62-39-23-8-24-40-62/h1-48H,49-50H2/q+2/b64-63+
InChIKeyOKQCGACBQBLXNT-ZOPJMJKSSA-N
XLogP13.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
N-hydroxy-4-(triphenylphosphaniumylmethyl)benzeneamine oxide
CID 21126561
bis((4-methoxycarbonylphenyl)methyl-triphenylphosphanium);dibromide;hydrate
CID 139074272
(4-methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium dibromide
CID 45104023
(4-ethoxycarbonylphenyl)methyl-triphenylphosphanium
CID 4073110
[4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenylphosphanium bromide
CID 10393031
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium (CID 90305713) is [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium is c1ccc(/C(=C(/c2ccccc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium?
The InChIKey is OKQCGACBQBLXNT-ZOPJMJKSSA-N. The full InChI is InChI=1S/C64H52P2/c1-9-25-53(26-10-1)63(55-45-41-51(42-46-55)49-65(57-29-13-3-14-30-57,58-31-15-4-16-32-58)59-33-17-5-18-34-59)64(54-27-11-2-12-28-54)56-47-43-52(44-48-56)50-66(60-35-19-6-20-36-60,61-37-21-7-22-38-61)62-39-23-8-24-40-62/h1-48H,49-50H2/q+2/b64-63+.
What are the key properties of [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium?
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium has a molecular weight of 883.07 g/mol, XLogP of 13.68, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 90305713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).