cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium

C20H22P+ — CID 155223560

IUPACcyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium
SMILESC[P+](C1=CCCCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22P/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18/h4-6,8-17H,2-3,7H2,1H3/q+1
InChIKeyPVVZWZAEQFFDFF-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.91
Rot. Bonds3

About cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium

cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium (PubChem CID 155223560) has the molecular formula C20H22P+ and a molecular weight of 293.37 g/mol. Its IUPAC name is cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium.

Molecular Properties

Compound Namecyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium
PubChem CID155223560
Molecular FormulaC20H22P+
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Namecyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium
SMILESC[P+](C1=CCCCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22P/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18/h4-6,8-17H,2-3,7H2,1H3/q+1
InChIKeyPVVZWZAEQFFDFF-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.91
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

methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium
CID 144740709
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-methyl-phenylphosphanium
CID 118629545
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
2-methylcycloundeca-1,3,7-triene
CID 123392586
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
bis(methyl(triphenyl)phosphanium) ditriiodide
CID 139175136
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
cyclopentyl-methyl-diphenylphosphanium
CID 23413005
cyclohexyl-methyl-diphenylphosphanium
CID 23418239
1-cyclobutylethylbenzene
CID 22024745
dibenzothiophene;ethane;2-methylcyclohepta-1,3-diene
CID 142509932
(2-acetylcyclohexa-1,5-dien-1-yl)-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-methyl-phenylphosphanium;ethane
CID 176696326

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium?
The IUPAC name of cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium (CID 155223560) is cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium.
What is the SMILES notation for cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium?
The canonical SMILES for cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium is C[P+](C1=CCCCC=C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium?
The InChIKey is PVVZWZAEQFFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22P/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18/h4-6,8-17H,2-3,7H2,1H3/q+1.
What are the key properties of cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium?
cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium has a molecular weight of 293.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,6-dien-1-yl-methyl-diphenylphosphanium is sourced from PubChem (CID 155223560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).