[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate

C18H21F6N2PSe — CID 11504089

IUPAC[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
SMILESCc1c2ccc(=[N+](C)C)cc-2[se]c2cc(N(C)C)ccc12.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C18H21N2Se.F6P/c1-12-15-8-6-13(19(2)3)10-17(15)21-18-11-14(20(4)5)7-9-16(12)18;1-7(2,3,4,5)6/h6-11H,1-5H3;/q+1;-1
InChIKeyRKSFIDPPQMWWRE-UHFFFAOYSA-N
MW489.30 g/mol
LogP5.79
Rot. Bonds1

About [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate

[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate (PubChem CID 11504089) has the molecular formula C18H21F6N2PSe and a molecular weight of 489.30 g/mol. Its IUPAC name is [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
PubChem CID11504089
Molecular FormulaC18H21F6N2PSe
Molecular Weight489.30 g/mol
Exact Mass490.05
IUPAC Name[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
SMILESCc1c2ccc(=[N+](C)C)cc-2[se]c2cc(N(C)C)ccc12.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C18H21N2Se.F6P/c1-12-15-8-6-13(19(2)3)10-17(15)21-18-11-14(20(4)5)7-9-16(12)18;1-7(2,3,4,5)6/h6-11H,1-5H3;/q+1;-1
InChIKeyRKSFIDPPQMWWRE-UHFFFAOYSA-N
XLogP5.79
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.30
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium
CID 11504090
[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium
CID 11678770
[6-(dimethylamino)-9-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
CID 11657516
[9-(2-carboxyphenyl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethylazanium
CID 11496779
[6-(dimethylamino)-9-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selenoxanthen-3-ylidene]-dimethylazanium
CID 11635224
[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)selenoxanthen-3-ylidene]-dimethylazanium
CID 11620293
lithium 5-[3-(dimethylamino)-6-dimethylazaniumylideneselenoxanthen-9-yl]thiophene-2-carboxylate
CID 102081019
[3-(dimethylamino)-12-phenylbenzo[b]selenoxanthen-8-ylidene]-dimethylazanium hexafluorophosphate
CID 127044487
[6-(dimethylamino)-9-methylxanthen-3-ylidene]-dimethylazanium
CID 123156518
[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
CID 11621054
[6-(dimethylamino)-9-(4-methoxyphenyl)thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
CID 44566092
[6-(dimethylamino)-9-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
CID 53302593

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate (CID 11504089) is [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate is Cc1c2ccc(=[N+](C)C)cc-2[se]c2cc(N(C)C)ccc12.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is RKSFIDPPQMWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2Se.F6P/c1-12-15-8-6-13(19(2)3)10-17(15)21-18-11-14(20(4)5)7-9-16(12)18;1-7(2,3,4,5)6/h6-11H,1-5H3;/q+1;-1.
What are the key properties of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate?
[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 489.30 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 11504089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).