triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium

C37H38P+ — CID 19755680

IUPACtriphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium
SMILESc1ccc(CCCCCc2cccc(CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C37H38P/c1-6-17-32(18-7-1)19-8-2-9-20-33-21-16-22-34(31-33)29-30-38(35-23-10-3-11-24-35,36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1,3-7,10-18,21-28,31H,2,8-9,19-20,29-30H2/q+1
InChIKeyZTJRBMFXFZUBSJ-UHFFFAOYSA-N
MW513.69 g/mol
LogP8.18
Rot. Bonds12

About triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium

triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium (PubChem CID 19755680) has the molecular formula C37H38P+ and a molecular weight of 513.69 g/mol. Its IUPAC name is triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium
PubChem CID19755680
Molecular FormulaC37H38P+
Molecular Weight513.69 g/mol
Exact Mass513.27
IUPAC Nametriphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium
SMILESc1ccc(CCCCCc2cccc(CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C37H38P/c1-6-17-32(18-7-1)19-8-2-9-20-33-21-16-22-34(31-33)29-30-38(35-23-10-3-11-24-35,36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1,3-7,10-18,21-28,31H,2,8-9,19-20,29-30H2/q+1
InChIKeyZTJRBMFXFZUBSJ-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

triphenyl(11-phenylundecyl)phosphanium
CID 23583359
2-[3-(4-phenoxybutyl)phenyl]ethyl-triphenylphosphanium
CID 19755692
triphenyl(2-phenylethyl)phosphanium chloride
CID 88746248
6-(4-butylphenyl)hexyl-triphenylphosphanium
CID 129304665
1-benzyl-3-(6-phenylhexyl)benzene
CID 123789235
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
4-phenylbutylbenzene
CID 141301927
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium?
The IUPAC name of triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium (CID 19755680) is triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium.
What is the SMILES notation for triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium?
The canonical SMILES for triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium is c1ccc(CCCCCc2cccc(CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium?
The InChIKey is ZTJRBMFXFZUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38P/c1-6-17-32(18-7-1)19-8-2-9-20-33-21-16-22-34(31-33)29-30-38(35-23-10-3-11-24-35,36-25-12-4-13-26-36)37-27-14-5-15-28-37/h1,3-7,10-18,21-28,31H,2,8-9,19-20,29-30H2/q+1.
What are the key properties of triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium?
triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium has a molecular weight of 513.69 g/mol, XLogP of 8.18, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium is sourced from PubChem (CID 19755680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).