[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium

C17H19N2O+ — CID 7086

IUPAC[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
SMILESCN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1
InChIKeyMTENKDNBVMPHAS-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.64
Rot. Bonds1

About [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium

[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium (PubChem CID 7086) has the molecular formula C17H19N2O+ and a molecular weight of 267.35 g/mol. Its IUPAC name is [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
PubChem CID7086
Molecular FormulaC17H19N2O+
Molecular Weight267.35 g/mol
Exact Mass267.15
IUPAC Name[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
SMILESCN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1
InChIKeyMTENKDNBVMPHAS-UHFFFAOYSA-N
XLogP2.64
TPSA19.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium?
The IUPAC name of [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium (CID 7086) is [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium.
What is the SMILES notation for [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium?
The canonical SMILES for [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium is CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1.
What is the InChIKey of [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium?
The InChIKey is MTENKDNBVMPHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1.
What are the key properties of [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium?
[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium has a molecular weight of 267.35 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium is sourced from PubChem (CID 7086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).