trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide

C74H54Br2OP2 — CID 57341287

IUPACtrinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide
SMILES[Br-].[Br-].c1ccc2c([P+](Cc3ccc(Oc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C74H54OP2.2BrH/c1-7-31-63-55(19-1)25-13-37-69(63)76(70-38-14-26-56-20-2-8-32-64(56)70,71-39-15-27-57-21-3-9-33-65(57)71)51-53-43-47-61(48-44-53)75-62-49-45-54(46-50-62)52-77(72-40-16-28-58-22-4-10-34-66(58)72,73-41-17-29-59-23-5-11-35-67(59)73)74-42-18-30-60-24-6-12-36-68(60)74;;/h1-50H,51-52H2;2*1H/q+2;;/p-2
InChIKeyYSGNVSLTPYKLTM-UHFFFAOYSA-L
MW1181.00 g/mol
LogP11.39
Rot. Bonds12

About trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide

trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide (PubChem CID 57341287) has the molecular formula C74H54Br2OP2 and a molecular weight of 1181.00 g/mol. Its IUPAC name is trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide.

Molecular Properties

Compound Nametrinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide
PubChem CID57341287
Molecular FormulaC74H54Br2OP2
Molecular Weight1181.00 g/mol
Exact Mass1178.20
IUPAC Nametrinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide
SMILES[Br-].[Br-].c1ccc2c([P+](Cc3ccc(Oc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C74H54OP2.2BrH/c1-7-31-63-55(19-1)25-13-37-69(63)76(70-38-14-26-56-20-2-8-32-64(56)70,71-39-15-27-57-21-3-9-33-65(57)71)51-53-43-47-61(48-44-53)75-62-49-45-54(46-50-62)52-77(72-40-16-28-58-22-4-10-34-66(58)72,73-41-17-29-59-23-5-11-35-67(59)73)74-42-18-30-60-24-6-12-36-68(60)74;;/h1-50H,51-52H2;2*1H/q+2;;/p-2
InChIKeyYSGNVSLTPYKLTM-UHFFFAOYSA-L
XLogP11.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.00
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide with MolForge

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Related Compounds

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
Tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
CID 57342681
Tris(2-methoxyphenyl)-[[4-[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57342683
Tris[4-(trifluoromethyl)phenyl]-[[4-[4-[tris[4-(trifluoromethyl)phenyl]phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57343019
Tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57343190
Tris(3-methylphenyl)-[[4-[4-[tris(3-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium dibromide
CID 57343522

Frequently Asked Questions

What is the IUPAC name of trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide?
The IUPAC name of trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide (CID 57341287) is trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide.
What is the SMILES notation for trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide?
The canonical SMILES for trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide is [Br-].[Br-].c1ccc2c([P+](Cc3ccc(Oc4ccc(C[P+](c5cccc6ccccc56)(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide?
The InChIKey is YSGNVSLTPYKLTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C74H54OP2.2BrH/c1-7-31-63-55(19-1)25-13-37-69(63)76(70-38-14-26-56-20-2-8-32-64(56)70,71-39-15-27-57-21-3-9-33-65(57)71)51-53-43-47-61(48-44-53)75-62-49-45-54(46-50-62)52-77(72-40-16-28-58-22-4-10-34-66(58)72,73-41-17-29-59-23-5-11-35-67(59)73)74-42-18-30-60-24-6-12-36-68(60)74;;/h1-50H,51-52H2;2*1H/q+2;;/p-2.
What are the key properties of trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide?
trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide has a molecular weight of 1181.00 g/mol, XLogP of 11.39, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trinaphthalen-1-yl-[[4-[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenoxy]phenyl]methyl]phosphanium dibromide is sourced from PubChem (CID 57341287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).