bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))

C52H24Cl2F24Lu2N4O10 — CID 139167863

About bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))

bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)) (PubChem CID 139167863) has the molecular formula C52H24Cl2F24Lu2N4O10 and a molecular weight of 1741.57 g/mol. Its IUPAC name is bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)).

Molecular Properties

• Compound Name: bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))
• PubChem CID: 139167863
• Molecular Formula: C52H24Cl2F24Lu2N4O10
• Molecular Weight: 1741.57 g/mol
• Exact Mass: 1739.93
• IUPAC Name: bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))
• SMILES: O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Lu+3].[Lu+3].[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12
• InChI: InChI=1S/2C16H11ClN2O.4C5H2F6O2.2Lu/c2*17-12-5-8-13(9-6-12)18-10-14-7-4-11-2-1-3-15(20)16(11)19-14;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-10,20H;4*1,12H;;/q;;;;;;2*+3/p-6/b2*18-10+;4*2-1-
• InChIKey: CXWSMYANXFUQQC-PTZNXNTPSA-H
• XLogP: 11.12
• TPSA: 257.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.57
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))?

The IUPAC name of bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)) (CID 139167863) is bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)).

What is the SMILES notation for bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))?

The canonical SMILES for bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)) is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Lu+3].[Lu+3].[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.

What is the InChIKey of bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))?

The InChIKey is CXWSMYANXFUQQC-PTZNXNTPSA-H. The full InChI is InChI=1S/2C16H11ClN2O.4C5H2F6O2.2Lu/c2*17-12-5-8-13(9-6-12)18-10-14-7-4-11-2-1-3-15(20)16(11)19-14;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-10,20H;4*1,12H;;/q;;;;;;2*+3/p-6/b2*18-10+;4*2-1-;;.

What are the key properties of bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+))?

bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)) has a molecular weight of 1741.57 g/mol, XLogP of 11.12, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lutetium(3+)) is sourced from PubChem (CID 139167863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).