4-azidobutyl(triphenyl)phosphanium iodide

C22H23IN3P — CID 170316714

IUPAC4-azidobutyl(triphenyl)phosphanium iodide
SMILES[I-].[N-]=[N+]=NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3P.HI/c23-25-24-18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1
InChIKeyHVXNOWGLRQQUHA-UHFFFAOYSA-M
MW487.33 g/mol
LogP2.08
Rot. Bonds8

About 4-azidobutyl(triphenyl)phosphanium iodide

4-azidobutyl(triphenyl)phosphanium iodide (PubChem CID 170316714) has the molecular formula C22H23IN3P and a molecular weight of 487.33 g/mol. Its IUPAC name is 4-azidobutyl(triphenyl)phosphanium iodide.

Molecular Properties

Compound Name4-azidobutyl(triphenyl)phosphanium iodide
PubChem CID170316714
Molecular FormulaC22H23IN3P
Molecular Weight487.33 g/mol
Exact Mass487.07
IUPAC Name4-azidobutyl(triphenyl)phosphanium iodide
SMILES[I-].[N-]=[N+]=NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3P.HI/c23-25-24-18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1
InChIKeyHVXNOWGLRQQUHA-UHFFFAOYSA-M
XLogP2.08
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidobutyl(triphenyl)phosphanium iodide?
The IUPAC name of 4-azidobutyl(triphenyl)phosphanium iodide (CID 170316714) is 4-azidobutyl(triphenyl)phosphanium iodide.
What is the SMILES notation for 4-azidobutyl(triphenyl)phosphanium iodide?
The canonical SMILES for 4-azidobutyl(triphenyl)phosphanium iodide is [I-].[N-]=[N+]=NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-azidobutyl(triphenyl)phosphanium iodide?
The InChIKey is HVXNOWGLRQQUHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23N3P.HI/c23-25-24-18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1.
What are the key properties of 4-azidobutyl(triphenyl)phosphanium iodide?
4-azidobutyl(triphenyl)phosphanium iodide has a molecular weight of 487.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidobutyl(triphenyl)phosphanium iodide is sourced from PubChem (CID 170316714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).