cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium

C23H20P+ — CID 12683657

IUPACcyclopenta-1,3-dien-1-yl(triphenyl)phosphanium
SMILESC1=CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C23H20P/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18H,19H2/q+1
InChIKeyRBFNOEKPCSGNOC-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.82
Rot. Bonds4

About cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium

cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium (PubChem CID 12683657) has the molecular formula C23H20P+ and a molecular weight of 327.39 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(triphenyl)phosphanium
PubChem CID12683657
Molecular FormulaC23H20P+
Molecular Weight327.39 g/mol
Exact Mass327.13
IUPAC Namecyclopenta-1,3-dien-1-yl(triphenyl)phosphanium
SMILESC1=CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C23H20P/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18H,19H2/q+1
InChIKeyRBFNOEKPCSGNOC-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium?
The IUPAC name of cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium (CID 12683657) is cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium is C1=CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium?
The InChIKey is RBFNOEKPCSGNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20P/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18H,19H2/q+1.
What are the key properties of cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium?
cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium has a molecular weight of 327.39 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(triphenyl)phosphanium is sourced from PubChem (CID 12683657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).