2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)

C34H28N2O8Y2-4 — CID 165088332

IUPAC2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)
SMILESCCc1cc2c3c(cccc3c1)C(=O)N(C([C-]=O)CC[C-]=O)C2=O.CCc1cccc2c1C(=O)N(C([C-]=O)CC[C-]=O)C2=O.[Y].[Y]
InChIInChI=1S/C19H15NO4.C15H13NO4.2Y/c1-2-12-9-13-5-3-7-15-17(13)16(10-12)19(24)20(18(15)23)14(11-22)6-4-8-21;1-2-10-5-3-7-12-13(10)15(20)16(14(12)19)11(9-18)6-4-8-17;;/h3,5,7,9-10,14H,2,4,6H2,1H3;3,5,7,11H,2,4,6H2,1H3;;/q2*-2;;
InChIKeyQABYXXLCWICKBY-UHFFFAOYSA-N
MW770.42 g/mol
LogP3.57
Rot. Bonds12

About 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)

2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium) (PubChem CID 165088332) has the molecular formula C34H28N2O8Y2-4 and a molecular weight of 770.42 g/mol. Its IUPAC name is 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium).

Molecular Properties

Compound Name2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)
PubChem CID165088332
Molecular FormulaC34H28N2O8Y2-4
Molecular Weight770.42 g/mol
Exact Mass770.00
IUPAC Name2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)
SMILESCCc1cc2c3c(cccc3c1)C(=O)N(C([C-]=O)CC[C-]=O)C2=O.CCc1cccc2c1C(=O)N(C([C-]=O)CC[C-]=O)C2=O.[Y].[Y]
InChIInChI=1S/C19H15NO4.C15H13NO4.2Y/c1-2-12-9-13-5-3-7-15-17(13)16(10-12)19(24)20(18(15)23)14(11-22)6-4-8-21;1-2-10-5-3-7-12-13(10)15(20)16(14(12)19)11(9-18)6-4-8-17;;/h3,5,7,9-10,14H,2,4,6H2,1H3;3,5,7,11H,2,4,6H2,1H3;;/q2*-2;;
InChIKeyQABYXXLCWICKBY-UHFFFAOYSA-N
XLogP3.57
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500770.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium) with MolForge

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Related Compounds

2-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)pentanedial
CID 165088334
4-ethyl-2-propan-2-ylisoindole-1,3-dione
CID 166113919
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
2-ethylbenzo[b]phenalen-7-one
CID 163449460
5-ethyl-2-(trifluoromethylsulfanyloxy)benzo[de]isoquinoline-1,3-dione
CID 145155615
2-(1-aminopentan-3-yl)benzo[de]isoquinoline-1,3-dione
CID 62651428
2-[(2S)-1-hydroxybutan-2-yl]benzo[de]isoquinoline-1,3-dione
CID 7472002
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
3,8-diethyl-1-methylnaphthalene
CID 57467772
11-[1-[1-[1-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-methylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
CID 88946185
4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione
CID 141077925
1,3-diethylanthracene-9,10-dione
CID 22321054

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)?
The IUPAC name of 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium) (CID 165088332) is 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium).
What is the SMILES notation for 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)?
The canonical SMILES for 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium) is CCc1cc2c3c(cccc3c1)C(=O)N(C([C-]=O)CC[C-]=O)C2=O.CCc1cccc2c1C(=O)N(C([C-]=O)CC[C-]=O)C2=O.[Y].[Y].
What is the InChIKey of 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)?
The InChIKey is QABYXXLCWICKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4.C15H13NO4.2Y/c1-2-12-9-13-5-3-7-15-17(13)16(10-12)19(24)20(18(15)23)14(11-22)6-4-8-21;1-2-10-5-3-7-12-13(10)15(20)16(14(12)19)11(9-18)6-4-8-17;;/h3,5,7,9-10,14H,2,4,6H2,1H3;3,5,7,11H,2,4,6H2,1H3;;/q2*-2;;.
What are the key properties of 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium)?
2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium) has a molecular weight of 770.42 g/mol, XLogP of 3.57, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dioxopentan-2-yl)-5-ethylbenzo[de]isoquinoline-1,3-dione;2-(1,5-dioxopentan-2-yl)-4-ethylisoindole-1,3-dione;bis(yttrium) is sourced from PubChem (CID 165088332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).