triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium

C35H34OP+ — CID 23124762

IUPACtriphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
SMILESc1ccc(CCCCOc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C35H34OP/c1-5-15-30(16-6-1)17-13-14-28-36-32-26-24-31(25-27-32)29-37(33-18-7-2-8-19-33,34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,15-16,18-27H,13-14,17,28-29H2/q+1
InChIKeyUOGVIAWCDLTWRQ-UHFFFAOYSA-N
MW501.63 g/mol
LogP7.58
Rot. Bonds11

About triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium

triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium (PubChem CID 23124762) has the molecular formula C35H34OP+ and a molecular weight of 501.63 g/mol. Its IUPAC name is triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
PubChem CID23124762
Molecular FormulaC35H34OP+
Molecular Weight501.63 g/mol
Exact Mass501.23
IUPAC Nametriphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
SMILESc1ccc(CCCCOc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C35H34OP/c1-5-15-30(16-6-1)17-13-14-28-36-32-26-24-31(25-27-32)29-37(33-18-7-2-8-19-33,34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,15-16,18-27H,13-14,17,28-29H2/q+1
InChIKeyUOGVIAWCDLTWRQ-UHFFFAOYSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium
CID 19755661
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
benzyl-[4-(2-(18F)fluoroethoxy)phenyl]-diphenylphosphanium bromide
CID 162029575
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphanium
CID 19755692
(4-butoxyphenyl)methyl-triphenylphosphanium acetate
CID 87191199
(4-nonylphenyl)methyl-triphenylphosphanium
CID 21284846
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium?
The IUPAC name of triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium (CID 23124762) is triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium?
The canonical SMILES for triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium is c1ccc(CCCCOc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium?
The InChIKey is UOGVIAWCDLTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34OP/c1-5-15-30(16-6-1)17-13-14-28-36-32-26-24-31(25-27-32)29-37(33-18-7-2-8-19-33,34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,15-16,18-27H,13-14,17,28-29H2/q+1.
What are the key properties of triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium?
triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium has a molecular weight of 501.63 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium is sourced from PubChem (CID 23124762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).