[dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium

C9H27N5P2Se2 — CID 139072169

IUPAC[dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium
SMILESCN(C)[P@@]([Se-])(N(C)[P@@]([Se-])(N(C)C)=[N+](C)C)=[N+](C)C
InChIInChI=1S/C9H27N5P2Se2/c1-10(2)15(17,11(3)4)14(9)16(18,12(5)6)13(7)8/h1-9H3
InChIKeyISCGJECWQGXTHH-UHFFFAOYSA-N
MW425.22 g/mol
LogP0.81
Rot. Bonds4

About [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium

[dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium (PubChem CID 139072169) has the molecular formula C9H27N5P2Se2 and a molecular weight of 425.22 g/mol. Its IUPAC name is [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium
PubChem CID139072169
Molecular FormulaC9H27N5P2Se2
Molecular Weight425.22 g/mol
Exact Mass427.01
IUPAC Name[dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium
SMILESCN(C)[P@@]([Se-])(N(C)[P@@]([Se-])(N(C)C)=[N+](C)C)=[N+](C)C
InChIInChI=1S/C9H27N5P2Se2/c1-10(2)15(17,11(3)4)14(9)16(18,12(5)6)13(7)8/h1-9H3
InChIKeyISCGJECWQGXTHH-UHFFFAOYSA-N
XLogP0.81
TPSA15.74 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium (CID 139072169) is [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium is CN(C)[P@@]([Se-])(N(C)[P@@]([Se-])(N(C)C)=[N+](C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium?
The InChIKey is ISCGJECWQGXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27N5P2Se2/c1-10(2)15(17,11(3)4)14(9)16(18,12(5)6)13(7)8/h1-9H3.
What are the key properties of [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium?
[dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium has a molecular weight of 425.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[(dimethylamino-dimethylazaniumylidene-selenido-λ5-phosphanyl)-methylamino]-selenido-λ5-phosphanylidene]-dimethylazanium is sourced from PubChem (CID 139072169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).