ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)

C20H16Cl3N3O6Y6-6 — CID 159548649

IUPACethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)
SMILESC[C-]=O.C[C-]=O.Clc1nc(Cl)nc(Cl)n1.O=[C-]CC([C-]=O)C[C-]=O.O=[C-]c1ccccc1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C7H5O.C6H5O3.C3Cl3N3.2C2H3O.6Y/c8-6-7-4-2-1-3-5-7;7-3-1-6(5-9)2-4-8;4-1-7-2(5)9-3(6)8-1;2*1-2-3;;;;;;/h1-5H;6H,1-2H2;;2*1H3;;;;;;/q-1;-3;;2*-1;;;;;;
InChIKeyLIYJPNRNPBCDCY-UHFFFAOYSA-N
MW1034.16 g/mol
LogP2.91
Rot. Bonds6

About ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)

ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium) (PubChem CID 159548649) has the molecular formula C20H16Cl3N3O6Y6-6 and a molecular weight of 1034.16 g/mol. Its IUPAC name is ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium).

Molecular Properties

Compound Nameethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)
PubChem CID159548649
Molecular FormulaC20H16Cl3N3O6Y6-6
Molecular Weight1034.16 g/mol
Exact Mass1032.45
IUPAC Nameethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)
SMILESC[C-]=O.C[C-]=O.Clc1nc(Cl)nc(Cl)n1.O=[C-]CC([C-]=O)C[C-]=O.O=[C-]c1ccccc1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C7H5O.C6H5O3.C3Cl3N3.2C2H3O.6Y/c8-6-7-4-2-1-3-5-7;7-3-1-6(5-9)2-4-8;4-1-7-2(5)9-3(6)8-1;2*1-2-3;;;;;;/h1-5H;6H,1-2H2;;2*1H3;;;;;;/q-1;-3;;2*-1;;;;;;
InChIKeyLIYJPNRNPBCDCY-UHFFFAOYSA-N
XLogP2.91
TPSA141.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001034.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)?
The IUPAC name of ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium) (CID 159548649) is ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium).
What is the SMILES notation for ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)?
The canonical SMILES for ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium) is C[C-]=O.C[C-]=O.Clc1nc(Cl)nc(Cl)n1.O=[C-]CC([C-]=O)C[C-]=O.O=[C-]c1ccccc1.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)?
The InChIKey is LIYJPNRNPBCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O.C6H5O3.C3Cl3N3.2C2H3O.6Y/c8-6-7-4-2-1-3-5-7;7-3-1-6(5-9)2-4-8;4-1-7-2(5)9-3(6)8-1;2*1-2-3;;;;;;/h1-5H;6H,1-2H2;;2*1H3;;;;;;/q-1;-3;;2*-1;;;;;;.
What are the key properties of ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium)?
ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium) has a molecular weight of 1034.16 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;3-(oxomethyl)pentane-1,5-dione;phenylmethanone;2,4,6-trichloro-1,3,5-triazine;hexakis(yttrium) is sourced from PubChem (CID 159548649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).