4-iodobutyl(triphenyl)phosphanium

C22H23IP+ — CID 16760510

IUPAC4-iodobutyl(triphenyl)phosphanium
SMILESICCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23IP/c23-18-10-11-19-24(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/q+1
InChIKeyKAZRHQBDQIKYLC-UHFFFAOYSA-N
MW445.30 g/mol
LogP5.20
Rot. Bonds7

About 4-iodobutyl(triphenyl)phosphanium

4-iodobutyl(triphenyl)phosphanium (PubChem CID 16760510) has the molecular formula C22H23IP+ and a molecular weight of 445.30 g/mol. Its IUPAC name is 4-iodobutyl(triphenyl)phosphanium.

Molecular Properties

Compound Name4-iodobutyl(triphenyl)phosphanium
PubChem CID16760510
Molecular FormulaC22H23IP+
Molecular Weight445.30 g/mol
Exact Mass445.06
IUPAC Name4-iodobutyl(triphenyl)phosphanium
SMILESICCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23IP/c23-18-10-11-19-24(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/q+1
InChIKeyKAZRHQBDQIKYLC-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.30
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-iodobutyl(triphenyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
8-bromooctyl(triphenyl)phosphanium
CID 11991463
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
hexyl(triphenyl)phosphanium
CID 2724570
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
5-bromopentyl(triphenyl)phosphanium
CID 53436148
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
dodecyl(triphenyl)phosphanium iodide
CID 22245251

Frequently Asked Questions

What is the IUPAC name of 4-iodobutyl(triphenyl)phosphanium?
The IUPAC name of 4-iodobutyl(triphenyl)phosphanium (CID 16760510) is 4-iodobutyl(triphenyl)phosphanium.
What is the SMILES notation for 4-iodobutyl(triphenyl)phosphanium?
The canonical SMILES for 4-iodobutyl(triphenyl)phosphanium is ICCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-iodobutyl(triphenyl)phosphanium?
The InChIKey is KAZRHQBDQIKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23IP/c23-18-10-11-19-24(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/q+1.
What are the key properties of 4-iodobutyl(triphenyl)phosphanium?
4-iodobutyl(triphenyl)phosphanium has a molecular weight of 445.30 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobutyl(triphenyl)phosphanium is sourced from PubChem (CID 16760510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).