acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)

C84H70F2N10O8Pd4S2-2 — CID 159994126

IUPACacetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)
SMILESCC(=O)O.CC(=O)O.Cc1cccc(C)n1.Cc1cccc(C)n1.F[Pd+].F[Pd+].O=S(=O)([N-]c1cccc2ccc3cccnc3c12)c1cccc2cccnc12.O=S(=O)([N-]c1cccc2ccc3cccnc3c12)c1cccc2cccnc12.[Pd].[Pd].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C22H14N3O2S.2C11H8N.2C7H9N.2C2H4O2.2FH.4Pd/c2*26-28(27,19-10-2-6-16-7-3-13-23-21(16)19)25-18-9-1-5-15-11-12-17-8-4-14-24-22(17)20(15)18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-6-4-3-5-7(2)8-6;2*1-2(3)4;;;;;;/h2*1-14H;2*1-6,8-9H;2*3-5H,1-2H3;2*1H3,(H,3,4);2*1H;;;;/q4*-1;;;;;;;;;2*+2/p-2
InChIKeyGJVFGGMNHMPTKQ-UHFFFAOYSA-L
MW1875.36 g/mol
LogP20.17
Rot. Bonds8

About acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)

acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine) (PubChem CID 159994126) has the molecular formula C84H70F2N10O8Pd4S2-2 and a molecular weight of 1875.36 g/mol. Its IUPAC name is acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine).

Molecular Properties

Compound Nameacetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)
PubChem CID159994126
Molecular FormulaC84H70F2N10O8Pd4S2-2
Molecular Weight1875.36 g/mol
Exact Mass1872.09
IUPAC Nameacetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)
SMILESCC(=O)O.CC(=O)O.Cc1cccc(C)n1.Cc1cccc(C)n1.F[Pd+].F[Pd+].O=S(=O)([N-]c1cccc2ccc3cccnc3c12)c1cccc2cccnc12.O=S(=O)([N-]c1cccc2ccc3cccnc3c12)c1cccc2cccnc12.[Pd].[Pd].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C22H14N3O2S.2C11H8N.2C7H9N.2C2H4O2.2FH.4Pd/c2*26-28(27,19-10-2-6-16-7-3-13-23-21(16)19)25-18-9-1-5-15-11-12-17-8-4-14-24-22(17)20(15)18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-6-4-3-5-7(2)8-6;2*1-2(3)4;;;;;;/h2*1-14H;2*1-6,8-9H;2*3-5H,1-2H3;2*1H3,(H,3,4);2*1H;;;;/q4*-1;;;;;;;;;2*+2/p-2
InChIKeyGJVFGGMNHMPTKQ-UHFFFAOYSA-L
XLogP20.17
TPSA274.20 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.36
LogP ≤ 520.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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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Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)?
The IUPAC name of acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine) (CID 159994126) is acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine).
What is the SMILES notation for acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)?
The canonical SMILES for acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine) is CC(=O)O.CC(=O)O.Cc1cccc(C)n1.Cc1cccc(C)n1.F[Pd+].F[Pd+].O=S(=O)([N-]c1cccc2ccc3cccnc3c12)c1cccc2cccnc12.O=S(=O)([N-]c1cccc2ccc3cccnc3c12)c1cccc2cccnc12.[Pd].[Pd].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)?
The InChIKey is GJVFGGMNHMPTKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H14N3O2S.2C11H8N.2C7H9N.2C2H4O2.2FH.4Pd/c2*26-28(27,19-10-2-6-16-7-3-13-23-21(16)19)25-18-9-1-5-15-11-12-17-8-4-14-24-22(17)20(15)18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-6-4-3-5-7(2)8-6;2*1-2(3)4;;;;;;/h2*1-14H;2*1-6,8-9H;2*3-5H,1-2H3;2*1H3,(H,3,4);2*1H;;;;/q4*-1;;;;;;;;;2*+2/p-2.
What are the key properties of acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine)?
acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine) has a molecular weight of 1875.36 g/mol, XLogP of 20.17, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(benzo[h]quinolin-10-yl(quinolin-8-ylsulfonyl)azanide);bis(2,6-dimethylpyridine);bis(fluoropalladium(1+));bis(palladium);bis(2-phenylpyridine) is sourced from PubChem (CID 159994126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).