cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium

C19H22P+ — CID 118629545

IUPACcyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
SMILESC[P+](C1=CCCC=C1)(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C19H22P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-3,5-9,11-13,15-16,18H,4,10,14H2,1H3/q+1
InChIKeyLCMZEQHGSGPGLW-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.08
Rot. Bonds3

About cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium

cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium (PubChem CID 118629545) has the molecular formula C19H22P+ and a molecular weight of 281.36 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
PubChem CID118629545
Molecular FormulaC19H22P+
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Namecyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
SMILESC[P+](C1=CCCC=C1)(c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C19H22P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-3,5-9,11-13,15-16,18H,4,10,14H2,1H3/q+1
InChIKeyLCMZEQHGSGPGLW-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium
CID 155223560
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
CID 123441058
methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium
CID 144740709
2-(1-cyclohexa-2,4-dien-1-ylpropyl)cyclohexa-1,3-diene
CID 143260286
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
cyclopentyl-methyl-diphenylphosphanium
CID 23413005
[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838
cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218
cyclohexyl-methyl-diphenylphosphanium
CID 23418239
2-cyclohexa-2,4-dien-1-yl-2-phenylacetonitrile
CID 67965946

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium?
The IUPAC name of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium (CID 118629545) is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium is C[P+](C1=CCCC=C1)(c1ccccc1)C1C=CC=CC1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium?
The InChIKey is LCMZEQHGSGPGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-3,5-9,11-13,15-16,18H,4,10,14H2,1H3/q+1.
What are the key properties of cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium?
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium has a molecular weight of 281.36 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium is sourced from PubChem (CID 118629545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).