tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide

C56H54Br2O7P2 — CID 57342683

IUPACtris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
SMILESCOc1ccccc1[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].[Br-]
InChIInChI=1S/C56H54O7P2.2BrH/c1-57-45-19-7-13-25-51(45)64(52-26-14-8-20-46(52)58-2,53-27-15-9-21-47(53)59-3)39-41-31-35-43(36-32-41)63-44-37-33-42(34-38-44)40-65(54-28-16-10-22-48(54)60-4,55-29-17-11-23-49(55)61-5)56-30-18-12-24-50(56)62-6;;/h7-38H,39-40H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyNQYNLYPWYRWAQL-UHFFFAOYSA-L
MW1060.80 g/mol
LogP4.53
Rot. Bonds18

About tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide

tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide (PubChem CID 57342683) has the molecular formula C56H54Br2O7P2 and a molecular weight of 1060.80 g/mol. Its IUPAC name is tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide.

Molecular Properties

Compound Nametris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
PubChem CID57342683
Molecular FormulaC56H54Br2O7P2
Molecular Weight1060.80 g/mol
Exact Mass1058.17
IUPAC Nametris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
SMILESCOc1ccccc1[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].[Br-]
InChIInChI=1S/C56H54O7P2.2BrH/c1-57-45-19-7-13-25-51(45)64(52-26-14-8-20-46(52)58-2,53-27-15-9-21-47(53)59-3)39-41-31-35-43(36-32-41)63-44-37-33-42(34-38-44)40-65(54-28-16-10-22-48(54)60-4,55-29-17-11-23-49(55)61-5)56-30-18-12-24-50(56)62-6;;/h7-38H,39-40H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyNQYNLYPWYRWAQL-UHFFFAOYSA-L
XLogP4.53
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms67
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001060.80
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide with MolForge

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Related Compounds

(4-Ethoxybenzyl)triphenylphosphonium chloride
CID 18314543
1,1',1'',1'''-(1,2-Ethenediylidene)tetrakis(4-methoxybenzene)
CID 24797
(4-Methoxybenzyl)triphenylphosphonium chloride
CID 2773651
R-(-)-1,13-Bis(diphenylphosphino)-7,8-dihydro-6H-dibenzo(f,h)(1,5)dioxonin
CID 10722198
Trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide
CID 57341287
Tris(4-methylphenyl)-[(4-phenoxyphenyl)methyl]phosphanium bromide
CID 57341472
Tris(3-methylphenyl)-[(4-phenoxyphenyl)methyl]phosphanium bromide
CID 57341476
Tris(2-methylpropyl)-[[4-[4-[tris(2-methylpropyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57341645
Trihexyl-[[4-[4-(trihexylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide
CID 57341825
[4-[4-[[Diphenyl(propyl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propylphosphanium dibromide
CID 57342168
[4-[4-[[Diphenyl(propan-2-yl)phosphaniumyl]methyl]phenoxy]phenyl]methyl-diphenyl-propan-2-ylphosphanium dibromide
CID 57342172
(4-Methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]phenoxy]phenyl]methyl]-diphenylphosphanium dibromide
CID 57342340

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
The IUPAC name of tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide (CID 57342683) is tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide.
What is the SMILES notation for tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
The canonical SMILES for tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide is COc1ccccc1[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].[Br-].
What is the InChIKey of tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
The InChIKey is NQYNLYPWYRWAQL-UHFFFAOYSA-L. The full InChI is InChI=1S/C56H54O7P2.2BrH/c1-57-45-19-7-13-25-51(45)64(52-26-14-8-20-46(52)58-2,53-27-15-9-21-47(53)59-3)39-41-31-35-43(36-32-41)63-44-37-33-42(34-38-44)40-65(54-28-16-10-22-48(54)60-4,55-29-17-11-23-49(55)61-5)56-30-18-12-24-50(56)62-6;;/h7-38H,39-40H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide?
tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide has a molecular weight of 1060.80 g/mol, XLogP of 4.53, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide is sourced from PubChem (CID 57342683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).