carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)

C28H27N3O12W3-2 — CID 59862144

IUPACcarbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)
SMILESO=[C-]CC(=O)CCN1C(=O)C=CC1=O.O=[C-]CC(=O)CCN1C(=O)C=CC1=O.O=[C-]CC(=O)CCN1C(=O)C=CC1=O.[CH3-].[W+2].[W].[W]
InChIInChI=1S/3C9H8NO4.CH3.3W/c3*11-6-4-7(12)3-5-10-8(13)1-2-9(10)14;;;;/h3*1-2H,3-5H2;1H3;;;/q4*-1;;;+2
InChIKeyCERTYTXCVFFYTJ-UHFFFAOYSA-N
MW1149.05 g/mol
LogP-1.45
Rot. Bonds15

About carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)

carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+) (PubChem CID 59862144) has the molecular formula C28H27N3O12W3-2 and a molecular weight of 1149.05 g/mol. Its IUPAC name is carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+).

Molecular Properties

Compound Namecarbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)
PubChem CID59862144
Molecular FormulaC28H27N3O12W3-2
Molecular Weight1149.05 g/mol
Exact Mass1149.01
IUPAC Namecarbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)
SMILESO=[C-]CC(=O)CCN1C(=O)C=CC1=O.O=[C-]CC(=O)CCN1C(=O)C=CC1=O.O=[C-]CC(=O)CCN1C(=O)C=CC1=O.[CH3-].[W+2].[W].[W]
InChIInChI=1S/3C9H8NO4.CH3.3W/c3*11-6-4-7(12)3-5-10-8(13)1-2-9(10)14;;;;/h3*1-2H,3-5H2;1H3;;;/q4*-1;;;+2
InChIKeyCERTYTXCVFFYTJ-UHFFFAOYSA-N
XLogP-1.45
TPSA214.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.05
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)?
The IUPAC name of carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+) (CID 59862144) is carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+).
What is the SMILES notation for carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)?
The canonical SMILES for carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+) is O=[C-]CC(=O)CCN1C(=O)C=CC1=O.O=[C-]CC(=O)CCN1C(=O)C=CC1=O.O=[C-]CC(=O)CCN1C(=O)C=CC1=O.[CH3-].[W+2].[W].[W].
What is the InChIKey of carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)?
The InChIKey is CERTYTXCVFFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8NO4.CH3.3W/c3*11-6-4-7(12)3-5-10-8(13)1-2-9(10)14;;;;/h3*1-2H,3-5H2;1H3;;;/q4*-1;;;+2.
What are the key properties of carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+)?
carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+) has a molecular weight of 1149.05 g/mol, XLogP of -1.45, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(1-(3,5-dioxopentyl)pyrrole-2,5-dione);tungsten;tungsten(2+) is sourced from PubChem (CID 59862144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).