1H-indole;tributyl(ethyl)phosphanium

C22H39NP+ — CID 158484132

IUPAC1H-indole;tributyl(ethyl)phosphanium
SMILESCCCC[P+](CC)(CCCC)CCCC.c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H32P.C8H7N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-4-8-7(3-1)5-6-9-8/h5-14H2,1-4H3;1-6,9H/q+1;
InChIKeyCYTKEWROSKZPJA-UHFFFAOYSA-N
MW348.54 g/mol
LogP7.59
Rot. Bonds10

About 1H-indole;tributyl(ethyl)phosphanium

1H-indole;tributyl(ethyl)phosphanium (PubChem CID 158484132) has the molecular formula C22H39NP+ and a molecular weight of 348.54 g/mol. Its IUPAC name is 1H-indole;tributyl(ethyl)phosphanium.

Molecular Properties

Compound Name1H-indole;tributyl(ethyl)phosphanium
PubChem CID158484132
Molecular FormulaC22H39NP+
Molecular Weight348.54 g/mol
Exact Mass348.28
IUPAC Name1H-indole;tributyl(ethyl)phosphanium
SMILESCCCC[P+](CC)(CCCC)CCCC.c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H32P.C8H7N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-4-8-7(3-1)5-6-9-8/h5-14H2,1-4H3;1-6,9H/q+1;
InChIKeyCYTKEWROSKZPJA-UHFFFAOYSA-N
XLogP7.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.54
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;tributyl(ethyl)phosphanium?
The IUPAC name of 1H-indole;tributyl(ethyl)phosphanium (CID 158484132) is 1H-indole;tributyl(ethyl)phosphanium.
What is the SMILES notation for 1H-indole;tributyl(ethyl)phosphanium?
The canonical SMILES for 1H-indole;tributyl(ethyl)phosphanium is CCCC[P+](CC)(CCCC)CCCC.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;tributyl(ethyl)phosphanium?
The InChIKey is CYTKEWROSKZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P.C8H7N/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-4-8-7(3-1)5-6-9-8/h5-14H2,1-4H3;1-6,9H/q+1;.
What are the key properties of 1H-indole;tributyl(ethyl)phosphanium?
1H-indole;tributyl(ethyl)phosphanium has a molecular weight of 348.54 g/mol, XLogP of 7.59, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;tributyl(ethyl)phosphanium is sourced from PubChem (CID 158484132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).