[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium

C57H45P6+3 — CID 134915224

IUPAC[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2pc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)pc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)p2)cc1
InChIInChI=1S/C57H45P6/c1-10-28-46(29-11-1)61(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55-58-56(62(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)60-57(59-55)63(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H/q+3
InChIKeyHZEPMBURANEYAE-UHFFFAOYSA-N
MW915.83 g/mol
LogP11.29
Rot. Bonds12

About [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium

[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium (PubChem CID 134915224) has the molecular formula C57H45P6+3 and a molecular weight of 915.83 g/mol. Its IUPAC name is [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
PubChem CID134915224
Molecular FormulaC57H45P6+3
Molecular Weight915.83 g/mol
Exact Mass915.19
IUPAC Name[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2pc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)pc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)p2)cc1
InChIInChI=1S/C57H45P6/c1-10-28-46(29-11-1)61(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55-58-56(62(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)60-57(59-55)63(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H/q+3
InChIKeyHZEPMBURANEYAE-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.83
LogP ≤ 511.29
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

palladium;tetraphenylphosphanium
CID 76575044
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
tetraphenylphosphanium;trifluorophosphane
CID 175419552
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
hydrogen borate;bis(tetraphenylphosphanium)
CID 174383886
tetraphenylphosphanium isocyanate
CID 23311576
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium
CID 23280121
CID 155673971
CID 155673971
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
trinaphthalen-1-yl(phenyl)phosphanium
CID 150544411

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium?
The IUPAC name of [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium (CID 134915224) is [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium.
What is the SMILES notation for [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium?
The canonical SMILES for [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium is c1ccc([P+](c2ccccc2)(c2ccccc2)c2pc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)pc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)p2)cc1.
What is the InChIKey of [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium?
The InChIKey is HZEPMBURANEYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45P6/c1-10-28-46(29-11-1)61(47-30-12-2-13-31-47,48-32-14-3-15-33-48)55-58-56(62(49-34-16-4-17-35-49,50-36-18-5-19-37-50)51-38-20-6-21-39-51)60-57(59-55)63(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54/h1-45H/q+3.
What are the key properties of [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium?
[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium has a molecular weight of 915.83 g/mol, XLogP of 11.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium is sourced from PubChem (CID 134915224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).