bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride

C30H22F2N2O4Pd2-6 — CID 53470521

IUPACbis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride
SMILESCC(=O)[O-].CC(=O)[O-].[F-].[F-].[Pd].[Pd].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/2C13H8N.2C2H4O2.2FH.2Pd/c2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2(3)4;;;;/h2*1-5,7-9H;2*1H3,(H,3,4);2*1H;;/q2*-1;;;;;;/p-4
InChIKeyULSMGWZGXHIBGG-UHFFFAOYSA-J
MW725.35 g/mol
LogP-2.11
Rot. Bonds

About bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride

bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride (PubChem CID 53470521) has the molecular formula C30H22F2N2O4Pd2-6 and a molecular weight of 725.35 g/mol. Its IUPAC name is bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride.

Molecular Properties

Compound Namebis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride
PubChem CID53470521
Molecular FormulaC30H22F2N2O4Pd2-6
Molecular Weight725.35 g/mol
Exact Mass723.97
IUPAC Namebis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride
SMILESCC(=O)[O-].CC(=O)[O-].[F-].[F-].[Pd].[Pd].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/2C13H8N.2C2H4O2.2FH.2Pd/c2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2(3)4;;;;/h2*1-5,7-9H;2*1H3,(H,3,4);2*1H;;/q2*-1;;;;;;/p-4
InChIKeyULSMGWZGXHIBGG-UHFFFAOYSA-J
XLogP-2.11
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500725.35
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 156697230
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CID 139156306
bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
silver;10H-benzo[h]quinolin-10-ide;2-fluorobenzoic acid
CID 155643179
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CID 11261760
bis(10H-benzo[h]quinolin-10-ide);iridium(3+);10-methanidylbenzo[h]quinoline
CID 58084663
copper;quinolin-8-ol;diacetate
CID 161290532
10H-benzo[h]quinolin-10-ide;palladium;tetra(pyrazol-1-yl)boranuide;trifluoromethanesulfonate;nitrate
CID 56847686
10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
CID 135973441
lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
10H-benzo[h]quinolin-10-ide;chlorogold;(2-diphenylphosphaniumylphenyl)-diphenylphosphanium
CID 170514866
10H-benzo[h]quinolin-10-ide;bis(4-hydroxypent-3-en-2-one);bis(iridium);7-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline
CID 160647236

Frequently Asked Questions

What is the IUPAC name of bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride?
The IUPAC name of bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride (CID 53470521) is bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride.
What is the SMILES notation for bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride?
The canonical SMILES for bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride is CC(=O)[O-].CC(=O)[O-].[F-].[F-].[Pd].[Pd].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride?
The InChIKey is ULSMGWZGXHIBGG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H8N.2C2H4O2.2FH.2Pd/c2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;2*1-2(3)4;;;;/h2*1-5,7-9H;2*1H3,(H,3,4);2*1H;;/q2*-1;;;;;;/p-4.
What are the key properties of bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride?
bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride has a molecular weight of 725.35 g/mol, XLogP of -2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10H-benzo[h]quinolin-10-ide);bis(palladium);diacetate;difluoride is sourced from PubChem (CID 53470521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).