tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide

C45H50Br2O6P2+2 — CID 88611570

IUPACtris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide
SMILESBr.Br.CCC([P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC)[P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C45H48O6P2.2BrH/c1-8-45(52(39-27-15-9-21-33(39)46-2,40-28-16-10-22-34(40)47-3)41-29-17-11-23-35(41)48-4)53(42-30-18-12-24-36(42)49-5,43-31-19-13-25-37(43)50-6)44-32-20-14-26-38(44)51-7;;/h9-32,45H,8H2,1-7H3;2*1H/q+2;;
InChIKeyZGCTYZWCMJAEOP-UHFFFAOYSA-N
MW908.65 g/mol
LogP8.92
Rot. Bonds15

About tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide

tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide (PubChem CID 88611570) has the molecular formula C45H50Br2O6P2+2 and a molecular weight of 908.65 g/mol. Its IUPAC name is tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide.

Molecular Properties

Compound Nametris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide
PubChem CID88611570
Molecular FormulaC45H50Br2O6P2+2
Molecular Weight908.65 g/mol
Exact Mass906.14
IUPAC Nametris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide
SMILESBr.Br.CCC([P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC)[P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C45H48O6P2.2BrH/c1-8-45(52(39-27-15-9-21-33(39)46-2,40-28-16-10-22-34(40)47-3)41-29-17-11-23-35(41)48-4)53(42-30-18-12-24-36(42)49-5,43-31-19-13-25-37(43)50-6)44-32-20-14-26-38(44)51-7;;/h9-32,45H,8H2,1-7H3;2*1H/q+2;;
InChIKeyZGCTYZWCMJAEOP-UHFFFAOYSA-N
XLogP8.92
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.65
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
tris(diethylamino)-(2-methoxyphenyl)phosphanium
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CID 87283102
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
CID 22555819
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide?
The IUPAC name of tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide (CID 88611570) is tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide.
What is the SMILES notation for tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide?
The canonical SMILES for tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide is Br.Br.CCC([P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC)[P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide?
The InChIKey is ZGCTYZWCMJAEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48O6P2.2BrH/c1-8-45(52(39-27-15-9-21-33(39)46-2,40-28-16-10-22-34(40)47-3)41-29-17-11-23-35(41)48-4)53(42-30-18-12-24-36(42)49-5,43-31-19-13-25-37(43)50-6)44-32-20-14-26-38(44)51-7;;/h9-32,45H,8H2,1-7H3;2*1H/q+2;;.
What are the key properties of tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide?
tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide has a molecular weight of 908.65 g/mol, XLogP of 8.92, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide is sourced from PubChem (CID 88611570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).