tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))

C188H140N8O24Tb4 — CID 139168399

About tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))

tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) (PubChem CID 139168399) has the molecular formula C188H140N8O24Tb4 and a molecular weight of 3530.92 g/mol. Its IUPAC name is tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)).

Molecular Properties

• Compound Name: tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
• PubChem CID: 139168399
• Molecular Formula: C188H140N8O24Tb4
• Molecular Weight: 3530.92 g/mol
• Exact Mass: 3528.70
• IUPAC Name: tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
• SMILES: COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Tb+3].[Tb+3].[Tb+3].[Tb+3]
• InChI: InChI=1S/4C17H14N2O2.8C15H12O2.4Tb/c4*1-21-15-9-7-13(8-10-15)18-11-14-6-5-12-3-2-4-16(20)17(12)19-14;8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h4*2-11,20H,1H3;8*1-11,16H;;;;/q;;;;;;;;;;;;4*+3/p-12/b4*18-11+;8*14-11-
• InChIKey: SDJUWSHMJYRXQE-BIVMNCSLSA-B
• XLogP: 30.44
• TPSA: 551.20 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3530.92
LogP ≤ 5	30.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?

The IUPAC name of tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) (CID 139168399) is tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)).

What is the SMILES notation for tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?

The canonical SMILES for tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) is COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.COc1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Tb+3].[Tb+3].[Tb+3].[Tb+3].

What is the InChIKey of tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?

The InChIKey is SDJUWSHMJYRXQE-BIVMNCSLSA-B. The full InChI is InChI=1S/4C17H14N2O2.8C15H12O2.4Tb/c4*1-21-15-9-7-13(8-10-15)18-11-14-6-5-12-3-2-4-16(20)17(12)19-14;8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h4*2-11,20H,1H3;8*1-11,16H;;;;/q;;;;;;;;;;;;4*+3/p-12/b4*18-11+;8*14-11-;;;;.

What are the key properties of tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))?

tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) has a molecular weight of 3530.92 g/mol, XLogP of 30.44, 36 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+)) is sourced from PubChem (CID 139168399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).