palladium;phosphane;tetrakis(triphenylene)

C72H51PPd — CID 175547767

IUPACpalladium;phosphane;tetrakis(triphenylene)
SMILESP.[Pd].c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/4C18H12.H3P.Pd/c4*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;;/h4*1-12H;1H3;
InChIKeyFOIZLBZTLBSPRR-UHFFFAOYSA-N
MW1053.59 g/mol
LogP20.64
Rot. Bonds

About palladium;phosphane;tetrakis(triphenylene)

palladium;phosphane;tetrakis(triphenylene) (PubChem CID 175547767) has the molecular formula C72H51PPd and a molecular weight of 1053.59 g/mol. Its IUPAC name is palladium;phosphane;tetrakis(triphenylene).

Molecular Properties

Compound Namepalladium;phosphane;tetrakis(triphenylene)
PubChem CID175547767
Molecular FormulaC72H51PPd
Molecular Weight1053.59 g/mol
Exact Mass1052.28
IUPAC Namepalladium;phosphane;tetrakis(triphenylene)
SMILESP.[Pd].c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/4C18H12.H3P.Pd/c4*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;;/h4*1-12H;1H3;
InChIKeyFOIZLBZTLBSPRR-UHFFFAOYSA-N
XLogP20.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.59
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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 palladium;phosphane;tetrakis(triphenylene)?
The IUPAC name of palladium;phosphane;tetrakis(triphenylene) (CID 175547767) is palladium;phosphane;tetrakis(triphenylene).
What is the SMILES notation for palladium;phosphane;tetrakis(triphenylene)?
The canonical SMILES for palladium;phosphane;tetrakis(triphenylene) is P.[Pd].c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of palladium;phosphane;tetrakis(triphenylene)?
The InChIKey is FOIZLBZTLBSPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H12.H3P.Pd/c4*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;;/h4*1-12H;1H3;.
What are the key properties of palladium;phosphane;tetrakis(triphenylene)?
palladium;phosphane;tetrakis(triphenylene) has a molecular weight of 1053.59 g/mol, XLogP of 20.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;phosphane;tetrakis(triphenylene) is sourced from PubChem (CID 175547767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).