2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)

C14H10N2OW — CID 58701287

IUPAC2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)
SMILES[CH2-]/N=C1/c2cccc3cccc(c23)C(=O)N1[CH2-].[W+2]
InChIInChI=1S/C14H10N2O.W/c1-15-13-10-7-3-5-9-6-4-8-11(12(9)10)14(17)16(13)2;/h3-8H,1-2H2;/q-2;+2/b15-13-;
InChIKeyVRDLTQIIGVRVPD-ZDCVYKBASA-N
MW406.09 g/mol
LogP2.62
Rot. Bonds

About 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)

2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+) (PubChem CID 58701287) has the molecular formula C14H10N2OW and a molecular weight of 406.09 g/mol. Its IUPAC name is 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+).

Molecular Properties

Compound Name2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)
PubChem CID58701287
Molecular FormulaC14H10N2OW
Molecular Weight406.09 g/mol
Exact Mass406.03
IUPAC Name2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)
SMILES[CH2-]/N=C1/c2cccc3cccc(c23)C(=O)N1[CH2-].[W+2]
InChIInChI=1S/C14H10N2O.W/c1-15-13-10-7-3-5-9-6-4-8-11(12(9)10)14(17)16(13)2;/h3-8H,1-2H2;/q-2;+2/b15-13-;
InChIKeyVRDLTQIIGVRVPD-ZDCVYKBASA-N
XLogP2.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.09
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+) with MolForge

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Related Compounds

methanethiol;2-methanidylbenzo[de]isoquinoline-1,3-dione;terbium
CID 58019216
methanethiol;2-methanidylbenzo[de]isoquinoline-1,3-dione;tantalum(2+)
CID 58019231
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
2-propoxybenzo[de]isoquinoline-1,3-dione
CID 20686261
2-(2,3,4,5,6-pentamethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 132965970
2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 61348625
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzo[de]isoquinoline-1,3-dione
CID 102145089
2-[2-chloro-4-[3-chloro-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 2845100
2-[(2S)-1-hydroxybutan-2-yl]benzo[de]isoquinoline-1,3-dione
CID 7472002
N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
CID 160559905
2-(5-phenyl-1,3-thiazol-2-yl)benzo[de]isoquinoline-1,3-dione
CID 1119728

Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)?
The IUPAC name of 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+) (CID 58701287) is 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+).
What is the SMILES notation for 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)?
The canonical SMILES for 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+) is [CH2-]/N=C1/c2cccc3cccc(c23)C(=O)N1[CH2-].[W+2].
What is the InChIKey of 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)?
The InChIKey is VRDLTQIIGVRVPD-ZDCVYKBASA-N. The full InChI is InChI=1S/C14H10N2O.W/c1-15-13-10-7-3-5-9-6-4-8-11(12(9)10)14(17)16(13)2;/h3-8H,1-2H2;/q-2;+2/b15-13-;.
What are the key properties of 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+)?
2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+) has a molecular weight of 406.09 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-3-methanidyliminobenzo[de]isoquinolin-1-one;tungsten(2+) is sourced from PubChem (CID 58701287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).