tris(2-methylphenyl)-pentylphosphanium iodide

C26H32IP — CID 172804763

IUPACtris(2-methylphenyl)-pentylphosphanium iodide
SMILESCCCCC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C.[I-]
InChIInChI=1S/C26H32P.HI/c1-5-6-13-20-27(24-17-10-7-14-21(24)2,25-18-11-8-15-22(25)3)26-19-12-9-16-23(26)4;/h7-12,14-19H,5-6,13,20H2,1-4H3;1H/q+1;/p-1
InChIKeyRIWNJSJKAYLVHJ-UHFFFAOYSA-M
MW502.42 g/mol
LogP3.10
Rot. Bonds7

About tris(2-methylphenyl)-pentylphosphanium iodide

tris(2-methylphenyl)-pentylphosphanium iodide (PubChem CID 172804763) has the molecular formula C26H32IP and a molecular weight of 502.42 g/mol. Its IUPAC name is tris(2-methylphenyl)-pentylphosphanium iodide.

Molecular Properties

Compound Nametris(2-methylphenyl)-pentylphosphanium iodide
PubChem CID172804763
Molecular FormulaC26H32IP
Molecular Weight502.42 g/mol
Exact Mass502.13
IUPAC Nametris(2-methylphenyl)-pentylphosphanium iodide
SMILESCCCCC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C.[I-]
InChIInChI=1S/C26H32P.HI/c1-5-6-13-20-27(24-17-10-7-14-21(24)2,25-18-11-8-15-22(25)3)26-19-12-9-16-23(26)4;/h7-12,14-19H,5-6,13,20H2,1-4H3;1H/q+1;/p-1
InChIKeyRIWNJSJKAYLVHJ-UHFFFAOYSA-M
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(hexane);tris(1,2-xylene)
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[(Z)-11,11-diheptoxyundec-4-enyl]-tris(2-methylphenyl)phosphanium
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dodecyl(triphenyl)phosphanium iodide
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tris(2-methylphenyl)-(2-phenylethyl)phosphanium chloride
CID 88830497
hexyl(triphenyl)phosphanium
CID 2724570
triphenyl(undecyl)phosphanium chloride
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dodecyl(triphenyl)phosphanium fluoride
CID 88725542
hexane;1,2,3-trimethylbenzene
CID 159405289
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
tetrabutylazanium;1,2-xylene
CID 69453766
CID 11088809
CID 11088809
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578

Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenyl)-pentylphosphanium iodide?
The IUPAC name of tris(2-methylphenyl)-pentylphosphanium iodide (CID 172804763) is tris(2-methylphenyl)-pentylphosphanium iodide.
What is the SMILES notation for tris(2-methylphenyl)-pentylphosphanium iodide?
The canonical SMILES for tris(2-methylphenyl)-pentylphosphanium iodide is CCCCC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C.[I-].
What is the InChIKey of tris(2-methylphenyl)-pentylphosphanium iodide?
The InChIKey is RIWNJSJKAYLVHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H32P.HI/c1-5-6-13-20-27(24-17-10-7-14-21(24)2,25-18-11-8-15-22(25)3)26-19-12-9-16-23(26)4;/h7-12,14-19H,5-6,13,20H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tris(2-methylphenyl)-pentylphosphanium iodide?
tris(2-methylphenyl)-pentylphosphanium iodide has a molecular weight of 502.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenyl)-pentylphosphanium iodide is sourced from PubChem (CID 172804763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).