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

C57H56Br2O6P2 — CID 57342681

IUPACtris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
SMILESCOc1ccccc1[P+](Cc1ccc(Cc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].[Br-]
InChIInChI=1S/C57H56O6P2.2BrH/c1-58-46-19-7-13-25-52(46)64(53-26-14-8-20-47(53)59-2,54-27-15-9-21-48(54)60-3)40-44-35-31-42(32-36-44)39-43-33-37-45(38-34-43)41-65(55-28-16-10-22-49(55)61-4,56-29-17-11-23-50(56)62-5)57-30-18-12-24-51(57)63-6;;/h7-38H,39-41H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyWWDCIWBQENQRHA-UHFFFAOYSA-L
MW1058.83 g/mol
LogP4.33
Rot. Bonds18

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

tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide (PubChem CID 57342681) has the molecular formula C57H56Br2O6P2 and a molecular weight of 1058.83 g/mol. Its IUPAC name is tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide.

Molecular Properties

Compound Nametris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
PubChem CID57342681
Molecular FormulaC57H56Br2O6P2
Molecular Weight1058.83 g/mol
Exact Mass1056.19
IUPAC Nametris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
SMILESCOc1ccccc1[P+](Cc1ccc(Cc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].[Br-]
InChIInChI=1S/C57H56O6P2.2BrH/c1-58-46-19-7-13-25-52(46)64(53-26-14-8-20-47(53)59-2,54-27-15-9-21-48(54)60-3)40-44-35-31-42(32-36-44)39-43-33-37-45(38-34-43)41-65(55-28-16-10-22-49(55)61-4,56-29-17-11-23-50(56)62-5)57-30-18-12-24-51(57)63-6;;/h7-38H,39-41H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyWWDCIWBQENQRHA-UHFFFAOYSA-L
XLogP4.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms67
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001058.83
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide?
The IUPAC name of tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide (CID 57342681) is tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide.
What is the SMILES notation for tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide?
The canonical SMILES for tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide is COc1ccccc1[P+](Cc1ccc(Cc2ccc(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]phenyl]methyl]phenyl]methyl]phosphanium dibromide?
The InChIKey is WWDCIWBQENQRHA-UHFFFAOYSA-L. The full InChI is InChI=1S/C57H56O6P2.2BrH/c1-58-46-19-7-13-25-52(46)64(53-26-14-8-20-47(53)59-2,54-27-15-9-21-48(54)60-3)40-44-35-31-42(32-36-44)39-43-33-37-45(38-34-43)41-65(55-28-16-10-22-49(55)61-4,56-29-17-11-23-50(56)62-5)57-30-18-12-24-51(57)63-6;;/h7-38H,39-41H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide?
tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide has a molecular weight of 1058.83 g/mol, XLogP of 4.33, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide is sourced from PubChem (CID 57342681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).