bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)

C42H52Dy2N2O12 — CID 139167944

About bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)

bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate) (PubChem CID 139167944) has the molecular formula C42H52Dy2N2O12 and a molecular weight of 1101.88 g/mol. Its IUPAC name is bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate).

Molecular Properties

• Compound Name: bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)
• PubChem CID: 139167944
• Molecular Formula: C42H52Dy2N2O12
• Molecular Weight: 1101.88 g/mol
• Exact Mass: 1104.21
• IUPAC Name: bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)
• SMILES: CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CO.CO.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3]
• InChI: InChI=1S/2C10H9NO.4C5H8O2.2CH4O.2Dy/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;4*1-4(6)3-5(2)7;2*1-2;;/h2*2-6,12H,1H3;4*3,6H,1-2H3;2*2H,1H3;;/q;;;;;;;;2*+3/p-6/b;;4*4-3-
• InChIKey: YZRLVCZMXKGQGQ-TZVILHQXSA-H
• XLogP: 1.81
• TPSA: 272.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.88
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)?

The IUPAC name of bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate) (CID 139167944) is bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate).

What is the SMILES notation for bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)?

The canonical SMILES for bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CO.CO.Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Dy+3].[Dy+3].

What is the InChIKey of bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)?

The InChIKey is YZRLVCZMXKGQGQ-TZVILHQXSA-H. The full InChI is InChI=1S/2C10H9NO.4C5H8O2.2CH4O.2Dy/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;4*1-4(6)3-5(2)7;2*1-2;;/h2*2-6,12H,1H3;4*3,6H,1-2H3;2*2H,1H3;;/q;;;;;;;;2*+3/p-6/b;;4*4-3-;;;;.

What are the key properties of bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate)?

bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate) has a molecular weight of 1101.88 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dysprosium(3+));methanol;bis(2-methylquinolin-8-olate);tetrakis((Z)-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 139167944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).