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

C19H23N2O+ — CID 101126890

IUPAC[6-(diethylamino)xanthen-3-ylidene]-dimethylazanium
SMILESCCN(CC)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C19H23N2O/c1-5-21(6-2)17-10-8-15-11-14-7-9-16(20(3)4)12-18(14)22-19(15)13-17/h7-13H,5-6H2,1-4H3/q+1
InChIKeyYVPYHUPHVDTGJS-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.42
Rot. Bonds3

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

[6-(diethylamino)xanthen-3-ylidene]-dimethylazanium (PubChem CID 101126890) has the molecular formula C19H23N2O+ and a molecular weight of 295.41 g/mol. Its IUPAC name is [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[6-(diethylamino)xanthen-3-ylidene]-dimethylazanium
PubChem CID101126890
Molecular FormulaC19H23N2O+
Molecular Weight295.41 g/mol
Exact Mass295.18
IUPAC Name[6-(diethylamino)xanthen-3-ylidene]-dimethylazanium
SMILESCCN(CC)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C19H23N2O/c1-5-21(6-2)17-10-8-15-11-14-7-9-16(20(3)4)12-18(14)22-19(15)13-17/h7-13H,5-6H2,1-4H3/q+1
InChIKeyYVPYHUPHVDTGJS-UHFFFAOYSA-N
XLogP3.42
TPSA19.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.42
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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Related Compounds

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CID 7085
4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
Pyronine B
CID 16524
7-Diethylaminocoumarin
CID 88598
C.I. Basic Blue 3
CID 118408
Tetramethylrosamine
CID 2762681
Phenoxazin-5-ium, 3-(diethylamino)-7-(dimethylamino)-2-methyl-, chloride (1:1)
CID 102162
Zinc00236161
CID 614607
2,2'-Spirobi[2H-1-benzopyran]-7-amine, N,N-diethyl-3'-phenyl-
CID 171454
Rosamine
CID 2762680
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CID 10063514

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium?
The IUPAC name of [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium (CID 101126890) is [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium.
What is the SMILES notation for [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium?
The canonical SMILES for [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium is CCN(CC)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1.
What is the InChIKey of [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium?
The InChIKey is YVPYHUPHVDTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O/c1-5-21(6-2)17-10-8-15-11-14-7-9-16(20(3)4)12-18(14)22-19(15)13-17/h7-13H,5-6H2,1-4H3/q+1.
What are the key properties of [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium?
[6-(diethylamino)xanthen-3-ylidene]-dimethylazanium has a molecular weight of 295.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)xanthen-3-ylidene]-dimethylazanium is sourced from PubChem (CID 101126890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).