palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)

C26H18F6N2O4Pd — CID 134992476

IUPACpalladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Pd].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C22H16N2.2C2HF3O2.Pd/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*3-2(4,5)1(6)7;/h1-16H;2*(H,6,7);
InChIKeySRQHFQMUXYNMNZ-UHFFFAOYSA-N
MW642.85 g/mol
LogP6.74
Rot. Bonds3

About palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)

palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 134992476) has the molecular formula C26H18F6N2O4Pd and a molecular weight of 642.85 g/mol. Its IUPAC name is palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepalladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID134992476
Molecular FormulaC26H18F6N2O4Pd
Molecular Weight642.85 g/mol
Exact Mass642.02
IUPAC Namepalladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Pd].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C22H16N2.2C2HF3O2.Pd/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*3-2(4,5)1(6)7;/h1-16H;2*(H,6,7);
InChIKeySRQHFQMUXYNMNZ-UHFFFAOYSA-N
XLogP6.74
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid) (CID 134992476) is palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Pd].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.
What is the InChIKey of palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SRQHFQMUXYNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2.2C2HF3O2.Pd/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*3-2(4,5)1(6)7;/h1-16H;2*(H,6,7);.
What are the key properties of palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid)?
palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 642.85 g/mol, XLogP of 6.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 134992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).