[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium

C24H21N2S+ — CID 20531391

IUPAC[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium
SMILESC[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=N1
InChIInChI=1S/C24H21N2S/c1-26(2)24-14-13-20(17-25-24)21-15-22(18-9-5-3-6-10-18)27-23(16-21)19-11-7-4-8-12-19/h3-17H,1-2H3/q+1
InChIKeyNYYVPBWQUKHDGS-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.42
Rot. Bonds2

About [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium

[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium (PubChem CID 20531391) has the molecular formula C24H21N2S+ and a molecular weight of 369.51 g/mol. Its IUPAC name is [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium.

Molecular Properties

Compound Name[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium
PubChem CID20531391
Molecular FormulaC24H21N2S+
Molecular Weight369.51 g/mol
Exact Mass369.14
IUPAC Name[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium
SMILESC[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=N1
InChIInChI=1S/C24H21N2S/c1-26(2)24-14-13-20(17-25-24)21-15-22(18-9-5-3-6-10-18)27-23(16-21)19-11-7-4-8-12-19/h3-17H,1-2H3/q+1
InChIKeyNYYVPBWQUKHDGS-UHFFFAOYSA-N
XLogP5.42
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium?
The IUPAC name of [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium (CID 20531391) is [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium.
What is the SMILES notation for [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium?
The canonical SMILES for [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium is C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=N1.
What is the InChIKey of [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium?
The InChIKey is NYYVPBWQUKHDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2S/c1-26(2)24-14-13-20(17-25-24)21-15-22(18-9-5-3-6-10-18)27-23(16-21)19-11-7-4-8-12-19/h3-17H,1-2H3/q+1.
What are the key properties of [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium?
[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium has a molecular weight of 369.51 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium is sourced from PubChem (CID 20531391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).