dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate

C24H34ClN3O5 — CID 11554773

IUPACdibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate
SMILESCCCC[N+](CCCC)=c1ccc2nc3ccc(N(CC)CC)cc3oc-2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H34N3O.ClHO4/c1-5-9-15-27(16-10-6-2)20-12-14-22-24(18-20)28-23-17-19(26(7-3)8-4)11-13-21(23)25-22;2-1(3,4)5/h11-14,17-18H,5-10,15-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJHDZKNLBCHHSGM-UHFFFAOYSA-M
MW480.01 g/mol
LogP0.40
Rot. Bonds9

About dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate

dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate (PubChem CID 11554773) has the molecular formula C24H34ClN3O5 and a molecular weight of 480.01 g/mol. Its IUPAC name is dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate.

Molecular Properties

Compound Namedibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate
PubChem CID11554773
Molecular FormulaC24H34ClN3O5
Molecular Weight480.01 g/mol
Exact Mass479.22
IUPAC Namedibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate
SMILESCCCC[N+](CCCC)=c1ccc2nc3ccc(N(CC)CC)cc3oc-2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H34N3O.ClHO4/c1-5-9-15-27(16-10-6-2)20-12-14-22-24(18-20)28-23-17-19(26(7-3)8-4)11-13-21(23)25-22;2-1(3,4)5/h11-14,17-18H,5-10,15-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJHDZKNLBCHHSGM-UHFFFAOYSA-M
XLogP0.40
TPSA124.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[7-(diethylamino)phenoxazin-3-ylidene]-ethyl-propylazanium perchlorate
CID 158420932
[7-(diethylamino)phenoxazin-3-ylidene]-bis(2-hydroxyethyl)azanium
CID 59653482
ethyl-[7-[ethyl(4-sulfobutyl)amino]phenoxazin-3-ylidene]-(4-oxopentyl)azanium
CID 58732069
2-amino-7-(diethylamino)phenoxazin-3-one
CID 132509564
[7-(diethylamino)-9-perchloryloxyphenoxazin-3-ylidene]-diethylazanium
CID 87172741
N,N-diethyl-7-phenyliminophenoxazin-3-amine
CID 22950317
chloromethane;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium
CID 143958527
zinc;[7-(dimethylamino)phenoxazin-3-ylidene]-dimethylazanium;trichloride
CID 56841855
2-carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methylazanium;hydrochloride
CID 174190320
dibutyl(phenothiazin-3-ylidene)azanium perchlorate
CID 10432510
[6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride
CID 16524
[6-(diethylamino)xanthen-3-ylidene]-diethylazanium;hydrobromide
CID 46832172

Frequently Asked Questions

What is the IUPAC name of dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate?
The IUPAC name of dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate (CID 11554773) is dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate.
What is the SMILES notation for dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate?
The canonical SMILES for dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate is CCCC[N+](CCCC)=c1ccc2nc3ccc(N(CC)CC)cc3oc-2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate?
The InChIKey is JHDZKNLBCHHSGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H34N3O.ClHO4/c1-5-9-15-27(16-10-6-2)20-12-14-22-24(18-20)28-23-17-19(26(7-3)8-4)11-13-21(23)25-22;2-1(3,4)5/h11-14,17-18H,5-10,15-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate?
dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate has a molecular weight of 480.01 g/mol, XLogP of 0.40, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate is sourced from PubChem (CID 11554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).