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

C52H24Cl2F24N4O10Tb2 — CID 139167864

IUPACbis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(terbium(3+))
SMILESO=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.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[Tb+3].[Tb+3]
InChIInChI=1S/2C16H11ClN2O.4C5H2F6O2.2Tb/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-;;
InChIKeySNKVFVVPZAPKNS-PTZNXNTPSA-H
MW1709.49 g/mol
LogP11.12
Rot. Bonds8

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(terbium(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(terbium(3+)) (PubChem CID 139167864) has the molecular formula C52H24Cl2F24N4O10Tb2 and a molecular weight of 1709.49 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(terbium(3+)).

Molecular Properties

Compound Namebis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(terbium(3+))
PubChem CID139167864
Molecular FormulaC52H24Cl2F24N4O10Tb2
Molecular Weight1709.49 g/mol
Exact Mass1707.90
IUPAC Namebis(2-[(4-chlorophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(terbium(3+))
SMILESO=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.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[Tb+3].[Tb+3]
InChIInChI=1S/2C16H11ClN2O.4C5H2F6O2.2Tb/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-;;
InChIKeySNKVFVVPZAPKNS-PTZNXNTPSA-H
XLogP11.12
TPSA257.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001709.49
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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(terbium(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(terbium(3+)) (CID 139167864) 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(terbium(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(terbium(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(terbium(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.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Cl)cc3)nc12.[Tb+3].[Tb+3].
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(terbium(3+))?
The InChIKey is SNKVFVVPZAPKNS-PTZNXNTPSA-H. The full InChI is InChI=1S/2C16H11ClN2O.4C5H2F6O2.2Tb/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(terbium(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(terbium(3+)) has a molecular weight of 1709.49 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(terbium(3+)) is sourced from PubChem (CID 139167864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).