cycloprop-2-en-1-yl(triphenyl)phosphanium

C21H18P+ — CID 3452771

IUPACcycloprop-2-en-1-yl(triphenyl)phosphanium
SMILESC1=CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18P/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21H/q+1
InChIKeyKVDVSMYGODTNFE-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.92
Rot. Bonds4

About cycloprop-2-en-1-yl(triphenyl)phosphanium

cycloprop-2-en-1-yl(triphenyl)phosphanium (PubChem CID 3452771) has the molecular formula C21H18P+ and a molecular weight of 301.35 g/mol. Its IUPAC name is cycloprop-2-en-1-yl(triphenyl)phosphanium.

Molecular Properties

Compound Namecycloprop-2-en-1-yl(triphenyl)phosphanium
PubChem CID3452771
Molecular FormulaC21H18P+
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Namecycloprop-2-en-1-yl(triphenyl)phosphanium
SMILESC1=CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18P/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21H/q+1
InChIKeyKVDVSMYGODTNFE-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloprop-2-en-1-yl(triphenyl)phosphanium?
The IUPAC name of cycloprop-2-en-1-yl(triphenyl)phosphanium (CID 3452771) is cycloprop-2-en-1-yl(triphenyl)phosphanium.
What is the SMILES notation for cycloprop-2-en-1-yl(triphenyl)phosphanium?
The canonical SMILES for cycloprop-2-en-1-yl(triphenyl)phosphanium is C1=CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cycloprop-2-en-1-yl(triphenyl)phosphanium?
The InChIKey is KVDVSMYGODTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18P/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21H/q+1.
What are the key properties of cycloprop-2-en-1-yl(triphenyl)phosphanium?
cycloprop-2-en-1-yl(triphenyl)phosphanium has a molecular weight of 301.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloprop-2-en-1-yl(triphenyl)phosphanium is sourced from PubChem (CID 3452771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).