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

C52H24Br2F24Ho2N4O10 — CID 139178364

IUPACbis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(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.[Ho+3].[Ho+3].[O-]c1cccc2ccc(/C=N/c3ccc(Br)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Br)cc3)nc12
InChIInChI=1S/2C16H11BrN2O.4C5H2F6O2.2Ho/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-;;
InChIKeyLILNYAUTQLMTLI-PTZNXNTPSA-H
MW1810.40 g/mol
LogP11.34
Rot. Bonds8

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

bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+)) (PubChem CID 139178364) has the molecular formula C52H24Br2F24Ho2N4O10 and a molecular weight of 1810.40 g/mol. Its IUPAC name is bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+)).

Molecular Properties

Compound Namebis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+))
PubChem CID139178364
Molecular FormulaC52H24Br2F24Ho2N4O10
Molecular Weight1810.40 g/mol
Exact Mass1807.81
IUPAC Namebis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(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.[Ho+3].[Ho+3].[O-]c1cccc2ccc(/C=N/c3ccc(Br)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Br)cc3)nc12
InChIInChI=1S/2C16H11BrN2O.4C5H2F6O2.2Ho/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-;;
InChIKeyLILNYAUTQLMTLI-PTZNXNTPSA-H
XLogP11.34
TPSA257.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.40
LogP ≤ 511.34
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+))?
The IUPAC name of bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+)) (CID 139178364) is bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+)).
What is the SMILES notation for bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+))?
The canonical SMILES for bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(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.[Ho+3].[Ho+3].[O-]c1cccc2ccc(/C=N/c3ccc(Br)cc3)nc12.[O-]c1cccc2ccc(/C=N/c3ccc(Br)cc3)nc12.
What is the InChIKey of bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+))?
The InChIKey is LILNYAUTQLMTLI-PTZNXNTPSA-H. The full InChI is InChI=1S/2C16H11BrN2O.4C5H2F6O2.2Ho/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-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+))?
bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+)) has a molecular weight of 1810.40 g/mol, XLogP of 11.34, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(4-bromophenyl)iminomethyl]quinolin-8-olate);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(holmium(3+)) is sourced from PubChem (CID 139178364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).