tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium

C56H62O12P2+2 — CID 84820726

IUPACtris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium
SMILESCOCOc1ccccc1[P+](Cc1ccc(C[P+](c2ccccc2OCOC)(c2ccccc2OCOC)c2ccccc2OCOC)cc1)(c1ccccc1OCOC)c1ccccc1OCOC
InChIInChI=1S/C56H62O12P2/c1-57-37-63-45-19-7-13-25-51(45)69(52-26-14-8-20-46(52)64-38-58-2,53-27-15-9-21-47(53)65-39-59-3)35-43-31-33-44(34-32-43)36-70(54-28-16-10-22-48(54)66-40-60-4,55-29-17-11-23-49(55)67-41-61-5)56-30-18-12-24-50(56)68-42-62-6/h7-34H,35-42H2,1-6H3/q+2
InChIKeyOXOTXFWZOHYXIL-UHFFFAOYSA-N
MW989.05 g/mol
LogP8.57
Rot. Bonds28

About tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium

tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium (PubChem CID 84820726) has the molecular formula C56H62O12P2+2 and a molecular weight of 989.05 g/mol. Its IUPAC name is tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium
PubChem CID84820726
Molecular FormulaC56H62O12P2+2
Molecular Weight989.05 g/mol
Exact Mass988.37
IUPAC Nametris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium
SMILESCOCOc1ccccc1[P+](Cc1ccc(C[P+](c2ccccc2OCOC)(c2ccccc2OCOC)c2ccccc2OCOC)cc1)(c1ccccc1OCOC)c1ccccc1OCOC
InChIInChI=1S/C56H62O12P2/c1-57-37-63-45-19-7-13-25-51(45)69(52-26-14-8-20-46(52)64-38-58-2,53-27-15-9-21-47(53)65-39-59-3)35-43-31-33-44(34-32-43)36-70(54-28-16-10-22-48(54)66-40-60-4,55-29-17-11-23-49(55)67-41-61-5)56-30-18-12-24-50(56)68-42-62-6/h7-34H,35-42H2,1-6H3/q+2
InChIKeyOXOTXFWZOHYXIL-UHFFFAOYSA-N
XLogP8.57
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.05
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-enyl]-tris[2-(methoxymethoxy)phenyl]phosphanium
CID 101016733
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
CID 174642384
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
2-(methoxymethoxy)benzonitrile
CID 10352018

Frequently Asked Questions

What is the IUPAC name of tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium?
The IUPAC name of tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium (CID 84820726) is tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium.
What is the SMILES notation for tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium?
The canonical SMILES for tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium is COCOc1ccccc1[P+](Cc1ccc(C[P+](c2ccccc2OCOC)(c2ccccc2OCOC)c2ccccc2OCOC)cc1)(c1ccccc1OCOC)c1ccccc1OCOC.
What is the InChIKey of tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium?
The InChIKey is OXOTXFWZOHYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H62O12P2/c1-57-37-63-45-19-7-13-25-51(45)69(52-26-14-8-20-46(52)64-38-58-2,53-27-15-9-21-47(53)65-39-59-3)35-43-31-33-44(34-32-43)36-70(54-28-16-10-22-48(54)66-40-60-4,55-29-17-11-23-49(55)67-41-61-5)56-30-18-12-24-50(56)68-42-62-6/h7-34H,35-42H2,1-6H3/q+2.
What are the key properties of tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium?
tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium has a molecular weight of 989.05 g/mol, XLogP of 8.57, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(methoxymethoxy)phenyl]-[[4-[tris[2-(methoxymethoxy)phenyl]phosphaniumylmethyl]phenyl]methyl]phosphanium is sourced from PubChem (CID 84820726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).