[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium

C18H22N2P+ — CID 134867852

IUPAC[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium
SMILESCN(C)/C(=P\C(c1ccccc1)=[N+](C)C)c1ccccc1
InChIInChI=1S/C18H22N2P/c1-19(2)17(15-11-7-5-8-12-15)21-18(20(3)4)16-13-9-6-10-14-16/h5-14H,1-4H3/q+1
InChIKeyYORISQDNRACBQE-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.39
Rot. Bonds4

About [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium

[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium (PubChem CID 134867852) has the molecular formula C18H22N2P+ and a molecular weight of 297.36 g/mol. Its IUPAC name is [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium
PubChem CID134867852
Molecular FormulaC18H22N2P+
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium
SMILESCN(C)/C(=P\C(c1ccccc1)=[N+](C)C)c1ccccc1
InChIInChI=1S/C18H22N2P/c1-19(2)17(15-11-7-5-8-12-15)21-18(20(3)4)16-13-9-6-10-14-16/h5-14H,1-4H3/q+1
InChIKeyYORISQDNRACBQE-UHFFFAOYSA-N
XLogP3.39
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[bromo(phenyl)methylidene]-dimethylazanium
CID 576371
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
CID 102417247
[anilino(dimethylamino)methylidene]-dimethylazanium
CID 638167
1-fluoro-N,N-dimethyl-2,2-diphenylethenamine
CID 23105494
N-[2-(dimethylamino)-2-phenylethenoxy]aniline
CID 173353183
[dimethylamino(phenyl)methylidene]-iodogold
CID 71319519
N,N-dimethyl-1,2-diphenyl-2-silylethenamine
CID 173065135
lithium 1-(dimethylamino)-2,2-diphenylethenolate
CID 101054680
dimethyl(1-phenylprop-2-enylidene)azanium
CID 153465550
(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 134874702
2-(dimethylamino)-1-phenylprop-2-ene-1-thione
CID 88692044

Frequently Asked Questions

What is the IUPAC name of [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium?
The IUPAC name of [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium (CID 134867852) is [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium.
What is the SMILES notation for [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium?
The canonical SMILES for [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium is CN(C)/C(=P\C(c1ccccc1)=[N+](C)C)c1ccccc1.
What is the InChIKey of [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium?
The InChIKey is YORISQDNRACBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2P/c1-19(2)17(15-11-7-5-8-12-15)21-18(20(3)4)16-13-9-6-10-14-16/h5-14H,1-4H3/q+1.
What are the key properties of [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium?
[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium has a molecular weight of 297.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium is sourced from PubChem (CID 134867852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).