buta-1,3-dienyl(triphenyl)phosphanium

C22H20P+ — CID 2752732

IUPACbuta-1,3-dienyl(triphenyl)phosphanium
SMILESC=CC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/q+1
InChIKeyCQRVOJKIRCURAT-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.68
Rot. Bonds5

About buta-1,3-dienyl(triphenyl)phosphanium

buta-1,3-dienyl(triphenyl)phosphanium (PubChem CID 2752732) has the molecular formula C22H20P+ and a molecular weight of 315.38 g/mol. Its IUPAC name is buta-1,3-dienyl(triphenyl)phosphanium.

Molecular Properties

Compound Namebuta-1,3-dienyl(triphenyl)phosphanium
PubChem CID2752732
Molecular FormulaC22H20P+
Molecular Weight315.38 g/mol
Exact Mass315.13
IUPAC Namebuta-1,3-dienyl(triphenyl)phosphanium
SMILESC=CC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/q+1
InChIKeyCQRVOJKIRCURAT-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
(2S,3E)-2-hydroxy-1-phenylhexa-3,5-dien-1-one
CID 100973348
triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
CID 10894428
[(E)-2-carboxyethenyl]-triphenylphosphanium
CID 6332531
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
buta-1,3-dienyl(diphenyl)phosphane
CID 72728376
dimethyl-[(4Z)-2-methylhepta-4,6-dien-3-yl]-phenylsilane
CID 10514472
N-[(4Z)-hepta-4,6-dien-3-yl]aniline
CID 88908793
[(Z)-pent-3-en-2-yl]-triphenylphosphanium
CID 13156142
1-aminoprop-2-enyl(triphenyl)phosphanium chloride
CID 88750201

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienyl(triphenyl)phosphanium?
The IUPAC name of buta-1,3-dienyl(triphenyl)phosphanium (CID 2752732) is buta-1,3-dienyl(triphenyl)phosphanium.
What is the SMILES notation for buta-1,3-dienyl(triphenyl)phosphanium?
The canonical SMILES for buta-1,3-dienyl(triphenyl)phosphanium is C=CC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of buta-1,3-dienyl(triphenyl)phosphanium?
The InChIKey is CQRVOJKIRCURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/q+1.
What are the key properties of buta-1,3-dienyl(triphenyl)phosphanium?
buta-1,3-dienyl(triphenyl)phosphanium has a molecular weight of 315.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienyl(triphenyl)phosphanium is sourced from PubChem (CID 2752732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).