[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium

C22H23NP+ — CID 11079101

IUPAC[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
SMILESCN(C)/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/q+1/b19-18+
InChIKeyCEHGWJYZCPWXAM-VHEBQXMUSA-N
MW332.41 g/mol
LogP4.01
Rot. Bonds5

About [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium

[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium (PubChem CID 11079101) has the molecular formula C22H23NP+ and a molecular weight of 332.41 g/mol. Its IUPAC name is [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
PubChem CID11079101
Molecular FormulaC22H23NP+
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
SMILESCN(C)/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/q+1/b19-18+
InChIKeyCEHGWJYZCPWXAM-VHEBQXMUSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium?
The IUPAC name of [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium (CID 11079101) is [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium?
The canonical SMILES for [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium is CN(C)/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium?
The InChIKey is CEHGWJYZCPWXAM-VHEBQXMUSA-N. The full InChI is InChI=1S/C22H23NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3/q+1/b19-18+.
What are the key properties of [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium?
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium has a molecular weight of 332.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium is sourced from PubChem (CID 11079101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).