zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)

C30H18F12N4O2Zn — CID 139165162

IUPACzinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)
SMILESCc1ccc2cccc(/N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F)c2n1.Cc1ccc2cccc(N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F)c2n1.[Zn+2]
InChIInChI=1S/2C15H10F6N2O.Zn/c2*1-8-5-6-9-3-2-4-10(13(9)22-8)23-11(14(16,17)18)7-12(24)15(19,20)21;/h2*2-7,24H,1H3;/q;;+2/p-2/b12-7-,23-11?;12-7-,23-11-;
InChIKeyIYKWTFPOHZBEFW-BNLQICICSA-L
MW759.87 g/mol
LogP7.97
Rot. Bonds4

About zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)

zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate) (PubChem CID 139165162) has the molecular formula C30H18F12N4O2Zn and a molecular weight of 759.87 g/mol. Its IUPAC name is zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate).

Molecular Properties

Compound Namezinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)
PubChem CID139165162
Molecular FormulaC30H18F12N4O2Zn
Molecular Weight759.87 g/mol
Exact Mass758.05
IUPAC Namezinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)
SMILESCc1ccc2cccc(/N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F)c2n1.Cc1ccc2cccc(N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F)c2n1.[Zn+2]
InChIInChI=1S/2C15H10F6N2O.Zn/c2*1-8-5-6-9-3-2-4-10(13(9)22-8)23-11(14(16,17)18)7-12(24)15(19,20)21;/h2*2-7,24H,1H3;/q;;+2/p-2/b12-7-,23-11?;12-7-,23-11-;
InChIKeyIYKWTFPOHZBEFW-BNLQICICSA-L
XLogP7.97
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.87
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

zinc;2,6-ditert-butylphenolate;(Z)-6,6,6-trifluoro-2,2-dimethyl-5-(2-methylquinolin-8-yl)iminohex-3-en-3-olate
CID 139160118
CID 66916636
CID 66916636
CID 6371660
CID 6371660
(E)-1,1,1-trifluoro-4-[(2-methylquinolin-8-yl)amino]pent-3-en-2-one
CID 177451543
CID 172780914
CID 172780914
CID 173009222
CID 173009222
iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
CID 173129908
CID 87849940
CID 87849940
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758
3-(2-methylquinolin-8-yl)iminoisoindol-1-amine
CID 19154475
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010

Frequently Asked Questions

What is the IUPAC name of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)?
The IUPAC name of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate) (CID 139165162) is zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate).
What is the SMILES notation for zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)?
The canonical SMILES for zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate) is Cc1ccc2cccc(/N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F)c2n1.Cc1ccc2cccc(N=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F)c2n1.[Zn+2].
What is the InChIKey of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)?
The InChIKey is IYKWTFPOHZBEFW-BNLQICICSA-L. The full InChI is InChI=1S/2C15H10F6N2O.Zn/c2*1-8-5-6-9-3-2-4-10(13(9)22-8)23-11(14(16,17)18)7-12(24)15(19,20)21;/h2*2-7,24H,1H3;/q;;+2/p-2/b12-7-,23-11?;12-7-,23-11-;.
What are the key properties of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate)?
zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate) has a molecular weight of 759.87 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-(2-methylquinolin-8-yl)iminopent-2-en-2-olate) is sourced from PubChem (CID 139165162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).