[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate

C15H19ClN2O5 — CID 13485917

IUPAC[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate
SMILESCN(C)c1cc(-c2ccccc2)oc(=[N+](C)C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H19N2O.ClHO4/c1-16(2)13-10-14(12-8-6-5-7-9-12)18-15(11-13)17(3)4;2-1(3,4)5/h5-11H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyQBMJVLBGHCSKQW-UHFFFAOYSA-M
MW342.78 g/mol
LogP-2.71
Rot. Bonds2

About [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate

[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate (PubChem CID 13485917) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate
PubChem CID13485917
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate
SMILESCN(C)c1cc(-c2ccccc2)oc(=[N+](C)C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H19N2O.ClHO4/c1-16(2)13-10-14(12-8-6-5-7-9-12)18-15(11-13)17(3)4;2-1(3,4)5/h5-11H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyQBMJVLBGHCSKQW-UHFFFAOYSA-M
XLogP-2.71
TPSA111.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 5-2.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6H-Cycloheptoxazole, 6-dimethylamino-2-phenyl-
CID 27566
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium perchlorate
CID 12278065
6-(4-Dimethylami-nostyryl)-2,4-diphenylpyrylium perchlorate
CID 13710030
Dimethyl-(4-methyl-2-phenylchromen-7-ylidene)azanium
CID 88010727
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003
[2-(4-Fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
CID 150327512
4-(2,6-Diphenylpyran-4-ylidene)-1,3,5-trimethylpyrazol-1-ium perchlorate
CID 12808405
1-(2-Phenyl-6-pyrrolidin-1-ium-1-ylidenepyran-4-yl)pyrrolidine chloride
CID 13485919
1-(2-Phenyl-6-pyrrolidin-1-ium-1-ylidenepyran-4-yl)pyrrolidine perchlorate
CID 13485923
4-(2-Morpholin-4-ium-4-ylidene-6-phenylpyran-4-yl)morpholine perchlorate
CID 13485930
2,6-Diphenyl-4-(4-dimethylaminostyryl)pyrylium chloride
CID 15686504
2,6-Diphenyl-4-(p-dimethylaminostyryl)pyrylium perchlorate
CID 44719758

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate?
The IUPAC name of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate (CID 13485917) is [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate?
The canonical SMILES for [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate is CN(C)c1cc(-c2ccccc2)oc(=[N+](C)C)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate?
The InChIKey is QBMJVLBGHCSKQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N2O.ClHO4/c1-16(2)13-10-14(12-8-6-5-7-9-12)18-15(11-13)17(3)4;2-1(3,4)5/h5-11H,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate?
[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate has a molecular weight of 342.78 g/mol, XLogP of -2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 13485917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).