bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate

C61H56Cl2Dy2N16O13 — CID 139200359

About bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate

bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate (PubChem CID 139200359) has the molecular formula C61H56Cl2Dy2N16O13 and a molecular weight of 1617.12 g/mol. Its IUPAC name is bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate.

Molecular Properties

• Compound Name: bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate
• PubChem CID: 139200359
• Molecular Formula: C61H56Cl2Dy2N16O13
• Molecular Weight: 1617.12 g/mol
• Exact Mass: 1618.22
• IUPAC Name: bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate
• SMILES: CO.[Dy+3].[Dy+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccc2ccc(/C=N/CCc3c[nH]cn3)nc12.[O-]c1cccc2ccc(/C=N/CCc3c[nH]cn3)nc12.[O-]c1cccc2ccc(C=NCCc3c[nH]cn3)nc12.[O-]c1cccc2ccc(C=NCCc3c[nH]cn3)nc12
• InChI: InChI=1S/4C15H14N4O.CH4O.2ClHO4.2Dy/c4*20-14-3-1-2-11-4-5-13(19-15(11)14)9-16-7-6-12-8-17-10-18-12;1-2;2*2-1(3,4)5;;/h4*1-5,8-10,20H,6-7H2,(H,17,18);2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+3/p-6/b2*16-9+
• InChIKey: BQKAMJLUPVOJKA-WXZCJQOSSA-H
• XLogP: -3.13
• TPSA: 512.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1617.12
LogP ≤ 5	-3.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate?

The IUPAC name of bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate (CID 139200359) is bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate.

What is the SMILES notation for bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate?

The canonical SMILES for bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate is CO.[Dy+3].[Dy+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1cccc2ccc(/C=N/CCc3c[nH]cn3)nc12.[O-]c1cccc2ccc(/C=N/CCc3c[nH]cn3)nc12.[O-]c1cccc2ccc(C=NCCc3c[nH]cn3)nc12.[O-]c1cccc2ccc(C=NCCc3c[nH]cn3)nc12.

What is the InChIKey of bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate?

The InChIKey is BQKAMJLUPVOJKA-WXZCJQOSSA-H. The full InChI is InChI=1S/4C15H14N4O.CH4O.2ClHO4.2Dy/c4*20-14-3-1-2-11-4-5-13(19-15(11)14)9-16-7-6-12-8-17-10-18-12;1-2;2*2-1(3,4)5;;/h4*1-5,8-10,20H,6-7H2,(H,17,18);2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+3/p-6/b2*16-9+;;;;;;;.

What are the key properties of bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate?

bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate has a molecular weight of 1617.12 g/mol, XLogP of -3.13, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate is sourced from PubChem (CID 139200359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).