palladium(2+);phenylbenzene

C12H8Pd — CID 58471959

IUPACpalladium(2+);phenylbenzene
SMILES[Pd+2].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.Pd/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-7,9H;/q-2;+2
InChIKeyHBNGIKFJEOHNTP-UHFFFAOYSA-N
MW258.62 g/mol
LogP2.95
Rot. Bonds1

About palladium(2+);phenylbenzene

palladium(2+);phenylbenzene (PubChem CID 58471959) has the molecular formula C12H8Pd and a molecular weight of 258.62 g/mol. Its IUPAC name is palladium(2+);phenylbenzene.

Molecular Properties

Compound Namepalladium(2+);phenylbenzene
PubChem CID58471959
Molecular FormulaC12H8Pd
Molecular Weight258.62 g/mol
Exact Mass257.97
IUPAC Namepalladium(2+);phenylbenzene
SMILES[Pd+2].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.Pd/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-7,9H;/q-2;+2
InChIKeyHBNGIKFJEOHNTP-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.62
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iridium;phenylbenzene
CID 58599975
ethane;phenylbenzene;yttrium
CID 161119758
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
2-phenylcyclohexa-1,3-dien-5-yne;yttrium
CID 164741490
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
iridium;tris(2-phenylpyridine)
CID 23386734
4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
CID 158441264

Frequently Asked Questions

What is the IUPAC name of palladium(2+);phenylbenzene?
The IUPAC name of palladium(2+);phenylbenzene (CID 58471959) is palladium(2+);phenylbenzene.
What is the SMILES notation for palladium(2+);phenylbenzene?
The canonical SMILES for palladium(2+);phenylbenzene is [Pd+2].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of palladium(2+);phenylbenzene?
The InChIKey is HBNGIKFJEOHNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.Pd/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-7,9H;/q-2;+2.
What are the key properties of palladium(2+);phenylbenzene?
palladium(2+);phenylbenzene has a molecular weight of 258.62 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);phenylbenzene is sourced from PubChem (CID 58471959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).