Palladium-nanobowl

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Basic information

CAS: 213113-25-8
Standard SMILES: NCCN.NCCN.NCCN.NCCN.NCCN.NCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Pd].[Pd].[Pd].[Pd].[Pd].[Pd].c1cncc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)c1.c1cncc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)c1.c1cncc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)c1.c1cncc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)c1
InChIKey: AZEYUOKJHJIMGK-UHFFFAOYSA-N
Molecular formula: C84H108N48O36Pd6
Average molar mass: 3,004.6 g/mol

Names & identifiers

Preferred name: Palladium-nanobowl
IUPAC: hexakis(ethane-1,2-diamine);dodecakis(nitric acid);hexakis(palladium);tetrakis(2,4,6-tripyridin-3-yl-1,3,5-triazine)
English name: PALLADIUM-NANOBOWL
Molecular formula: C84H108N48O36Pd6
Molecular weight: 3004.58

Names & synonyms

PALLADIUM-NANOBOWLethane-1,2-diamine;nitric acid;palladium;2,4,6-tripyridin-3-yl-1,3,5-triazine213113-25-82,4,6-tripyridin-3-yl-1,3,5-triazineHexakis(1,2-ethanediamine)tetrakis[mu3-[2,4,6-tri(3-pyridinyl)-1,3,5-triazine]]hexapalladium dodecanitrate

Database identifiers

CAS: 213113-25-8

Properties

Computed structural properties

Topological polar surface area: 1,410 Å²
Hydrogen bond donors: 24
Hydrogen bond acceptors: 72
Rotatable bonds: 18
Heavy atoms: 174
Formal charge: 0
Complexity: 353

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Compound notes

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