triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium

C62H50P4+2 — CID 23280121

IUPACtriphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium
SMILESc1ccc(P2(c3ccccc3)=C([P+](c3ccccc3)(c3ccccc3)c3ccccc3)P(c3ccccc3)(c3ccccc3)=C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C62H50P4/c1-11-31-51(32-12-1)63(52-33-13-2-14-34-52,53-35-15-3-16-36-53)61-65(57-43-23-7-24-44-57,58-45-25-8-26-46-58)62(66(61,59-47-27-9-28-48-59)60-49-29-10-30-50-60)64(54-37-17-4-18-38-54,55-39-19-5-20-40-55)56-41-21-6-22-42-56/h1-50H/q+2
InChIKeyDYKFXPMFCIQJJF-UHFFFAOYSA-N
MW918.98 g/mol
LogP11.50
Rot. Bonds12

About triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium

triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium (PubChem CID 23280121) has the molecular formula C62H50P4+2 and a molecular weight of 918.98 g/mol. Its IUPAC name is triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium.

Molecular Properties

Compound Nametriphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium
PubChem CID23280121
Molecular FormulaC62H50P4+2
Molecular Weight918.98 g/mol
Exact Mass918.29
IUPAC Nametriphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium
SMILESc1ccc(P2(c3ccccc3)=C([P+](c3ccccc3)(c3ccccc3)c3ccccc3)P(c3ccccc3)(c3ccccc3)=C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C62H50P4/c1-11-31-51(32-12-1)63(52-33-13-2-14-34-52,53-35-15-3-16-36-53)61-65(57-43-23-7-24-44-57,58-45-25-8-26-46-58)62(66(61,59-47-27-9-28-48-59)60-49-29-10-30-50-60)64(54-37-17-4-18-38-54,55-39-19-5-20-40-55)56-41-21-6-22-42-56/h1-50H/q+2
InChIKeyDYKFXPMFCIQJJF-UHFFFAOYSA-N
XLogP11.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.98
LogP ≤ 511.50
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

tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
palladium;tetraphenylphosphanium
CID 76575044
tetraphenylphosphanium;trifluorophosphane
CID 175419552
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
[4,6-bis(triphenylphosphaniumyl)-1,3,5-triphosphinin-2-yl]-triphenylphosphanium
CID 134915224
hydrogen borate;bis(tetraphenylphosphanium)
CID 174383886
tetraphenylphosphanium isocyanate
CID 23311576
CID 174725022
CID 174725022
triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
CID 87509247
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
CID 155673971
CID 155673971
triphenyl-(4-propan-2-ylphenyl)phosphanium chloride
CID 157172125

Frequently Asked Questions

What is the IUPAC name of triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium?
The IUPAC name of triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium (CID 23280121) is triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium.
What is the SMILES notation for triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium?
The canonical SMILES for triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium is c1ccc(P2(c3ccccc3)=C([P+](c3ccccc3)(c3ccccc3)c3ccccc3)P(c3ccccc3)(c3ccccc3)=C2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium?
The InChIKey is DYKFXPMFCIQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50P4/c1-11-31-51(32-12-1)63(52-33-13-2-14-34-52,53-35-15-3-16-36-53)61-65(57-43-23-7-24-44-57,58-45-25-8-26-46-58)62(66(61,59-47-27-9-28-48-59)60-49-29-10-30-50-60)64(54-37-17-4-18-38-54,55-39-19-5-20-40-55)56-41-21-6-22-42-56/h1-50H/q+2.
What are the key properties of triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium?
triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium has a molecular weight of 918.98 g/mol, XLogP of 11.50, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium is sourced from PubChem (CID 23280121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).