bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate

C54H46F12N8P2Pd2 — CID 139071387

IUPACbis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1
InChIInChI=1S/2C15H11N2.2C12H12N2.2F6P.2Pd/c2*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;;/h2*1-11H;2*3-8H,1-2H3;;;;/q2*-1;;;2*-1;2*+2
InChIKeyUAKYROYHYAODBS-UHFFFAOYSA-N
MW1309.78 g/mol
LogP19.03
Rot. Bonds6

About bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate

bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate (PubChem CID 139071387) has the molecular formula C54H46F12N8P2Pd2 and a molecular weight of 1309.78 g/mol. Its IUPAC name is bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate.

Molecular Properties

Compound Namebis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate
PubChem CID139071387
Molecular FormulaC54H46F12N8P2Pd2
Molecular Weight1309.78 g/mol
Exact Mass1308.12
IUPAC Namebis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1
InChIInChI=1S/2C15H11N2.2C12H12N2.2F6P.2Pd/c2*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;;/h2*1-11H;2*3-8H,1-2H3;;;;/q2*-1;;;2*-1;2*+2
InChIKeyUAKYROYHYAODBS-UHFFFAOYSA-N
XLogP19.03
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.78
LogP ≤ 519.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 16683889
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Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Dichloromethane;nickel(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate;tris(5-methyl-3-phenylpyrazol-1-yl)boranuide
CID 139154727
Cobalt(2+);dichloromethane;2-pyridin-2-ylpyridine;trifluoromethanesulfonate;tris(5-methyl-3-phenylpyrazol-1-yl)boranuide
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Gross107 (Sudhakar)
CID 139174614
[4-[4-[2-(2,4-Difluorobenzene-6-id-1-yl)-4-pyridinyl]hexan-2-yl]phenyl]-diphenyl-(2-pyridin-3-ylphenyl)silane;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57703338
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567830

Frequently Asked Questions

What is the IUPAC name of bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate?
The IUPAC name of bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate (CID 139071387) is bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate.
What is the SMILES notation for bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate?
The canonical SMILES for bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.
What is the InChIKey of bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate?
The InChIKey is UAKYROYHYAODBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N2.2C12H12N2.2F6P.2Pd/c2*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;;/h2*1-11H;2*3-8H,1-2H3;;;;/q2*-1;;;2*-1;2*+2.
What are the key properties of bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate?
bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate has a molecular weight of 1309.78 g/mol, XLogP of 19.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diphenylpyrazol-1-ide);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(palladium(2+));dihexafluorophosphate is sourced from PubChem (CID 139071387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).