zinc bis(2-(trityliminomethyl)quinolin-8-olate)

C58H42N4O2Zn — CID 139143808

IUPACzinc bis(2-(trityliminomethyl)quinolin-8-olate)
SMILES[O-]c1cccc2ccc(/C=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[O-]c1cccc2ccc(/C=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[Zn+2]
InChIInChI=1S/2C29H22N2O.Zn/c2*32-27-18-10-11-22-19-20-26(31-28(22)27)21-30-29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h2*1-21,32H;/q;;+2/p-2/b2*30-21+;
InChIKeyUHBJETQBWUGLKB-KSRRXNBLSA-L
MW892.39 g/mol
LogP11.44
Rot. Bonds10

About zinc bis(2-(trityliminomethyl)quinolin-8-olate)

zinc bis(2-(trityliminomethyl)quinolin-8-olate) (PubChem CID 139143808) has the molecular formula C58H42N4O2Zn and a molecular weight of 892.39 g/mol. Its IUPAC name is zinc bis(2-(trityliminomethyl)quinolin-8-olate).

Molecular Properties

Compound Namezinc bis(2-(trityliminomethyl)quinolin-8-olate)
PubChem CID139143808
Molecular FormulaC58H42N4O2Zn
Molecular Weight892.39 g/mol
Exact Mass890.26
IUPAC Namezinc bis(2-(trityliminomethyl)quinolin-8-olate)
SMILES[O-]c1cccc2ccc(/C=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[O-]c1cccc2ccc(/C=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[Zn+2]
InChIInChI=1S/2C29H22N2O.Zn/c2*32-27-18-10-11-22-19-20-26(31-28(22)27)21-30-29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h2*1-21,32H;/q;;+2/p-2/b2*30-21+;
InChIKeyUHBJETQBWUGLKB-KSRRXNBLSA-L
XLogP11.44
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.39
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc bis(2-(trityliminomethyl)quinolin-8-olate)?
The IUPAC name of zinc bis(2-(trityliminomethyl)quinolin-8-olate) (CID 139143808) is zinc bis(2-(trityliminomethyl)quinolin-8-olate).
What is the SMILES notation for zinc bis(2-(trityliminomethyl)quinolin-8-olate)?
The canonical SMILES for zinc bis(2-(trityliminomethyl)quinolin-8-olate) is [O-]c1cccc2ccc(/C=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[O-]c1cccc2ccc(/C=N/C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.[Zn+2].
What is the InChIKey of zinc bis(2-(trityliminomethyl)quinolin-8-olate)?
The InChIKey is UHBJETQBWUGLKB-KSRRXNBLSA-L. The full InChI is InChI=1S/2C29H22N2O.Zn/c2*32-27-18-10-11-22-19-20-26(31-28(22)27)21-30-29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h2*1-21,32H;/q;;+2/p-2/b2*30-21+;.
What are the key properties of zinc bis(2-(trityliminomethyl)quinolin-8-olate)?
zinc bis(2-(trityliminomethyl)quinolin-8-olate) has a molecular weight of 892.39 g/mol, XLogP of 11.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-(trityliminomethyl)quinolin-8-olate) is sourced from PubChem (CID 139143808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).