tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium

C56H54OP2+2 — CID 57343191

IUPACtris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
SMILESCc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C56H54OP2/c1-41-7-27-51(28-8-41)58(52-29-9-42(2)10-30-52,53-31-11-43(3)12-32-53)39-47-19-23-49(24-20-47)57-50-25-21-48(22-26-50)40-59(54-33-13-44(4)14-34-54,55-35-15-45(5)16-36-55)56-37-17-46(6)18-38-56/h7-38H,39-40H2,1-6H3/q+2
InChIKeyZZLPZVBAFAILAZ-UHFFFAOYSA-N
MW804.99 g/mol
LogP12.32
Rot. Bonds12

About tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium

tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium (PubChem CID 57343191) has the molecular formula C56H54OP2+2 and a molecular weight of 804.99 g/mol. Its IUPAC name is tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
PubChem CID57343191
Molecular FormulaC56H54OP2+2
Molecular Weight804.99 g/mol
Exact Mass804.36
IUPAC Nametris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
SMILESCc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C56H54OP2/c1-41-7-27-51(28-8-41)58(52-29-9-42(2)10-30-52,53-31-11-43(3)12-32-53)39-47-19-23-49(24-20-47)57-50-25-21-48(22-26-50)40-59(54-33-13-44(4)14-34-54,55-35-15-45(5)16-36-55)56-37-17-46(6)18-38-56/h7-38H,39-40H2,1-6H3/q+2
InChIKeyZZLPZVBAFAILAZ-UHFFFAOYSA-N
XLogP12.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium with MolForge

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Related Compounds

(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide
CID 18958202
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
[4-(bromomethyl)phenyl]methyl-tris(4-methoxyphenyl)phosphanium bromide
CID 23631361
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
(4-methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium dibromide
CID 45104023
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
(9,10-dioxoanthracen-2-yl)methyl-tris(4-methylphenyl)phosphanium
CID 5195137
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium?
The IUPAC name of tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium (CID 57343191) is tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium.
What is the SMILES notation for tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium?
The canonical SMILES for tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium is Cc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium?
The InChIKey is ZZLPZVBAFAILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54OP2/c1-41-7-27-51(28-8-41)58(52-29-9-42(2)10-30-52,53-31-11-43(3)12-32-53)39-47-19-23-49(24-20-47)57-50-25-21-48(22-26-50)40-59(54-33-13-44(4)14-34-54,55-35-15-45(5)16-36-55)56-37-17-46(6)18-38-56/h7-38H,39-40H2,1-6H3/q+2.
What are the key properties of tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium?
tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium has a molecular weight of 804.99 g/mol, XLogP of 12.32, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium is sourced from PubChem (CID 57343191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).