palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)

C22H18N4Pd — CID 139084966

IUPACpalladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)
SMILESC(=N/c1ccccc1)\c1ccc[n-]1.C(=N/c1ccccc1)\c1ccc[n-]1.[Pd+2]
InChIInChI=1S/2C11H9N2.Pd/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;/h2*1-9H;/q2*-1;+2/b2*13-9+;
InChIKeyICWZKUUQDDDLIC-YJCYQSLBSA-N
MW444.83 g/mol
LogP4.79
Rot. Bonds4

About palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)

palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine) (PubChem CID 139084966) has the molecular formula C22H18N4Pd and a molecular weight of 444.83 g/mol. Its IUPAC name is palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine).

Molecular Properties

Compound Namepalladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)
PubChem CID139084966
Molecular FormulaC22H18N4Pd
Molecular Weight444.83 g/mol
Exact Mass444.06
IUPAC Namepalladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)
SMILESC(=N/c1ccccc1)\c1ccc[n-]1.C(=N/c1ccccc1)\c1ccc[n-]1.[Pd+2]
InChIInChI=1S/2C11H9N2.Pd/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;/h2*1-9H;/q2*-1;+2/b2*13-9+;
InChIKeyICWZKUUQDDDLIC-YJCYQSLBSA-N
XLogP4.79
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)?
The IUPAC name of palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine) (CID 139084966) is palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine).
What is the SMILES notation for palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)?
The canonical SMILES for palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine) is C(=N/c1ccccc1)\c1ccc[n-]1.C(=N/c1ccccc1)\c1ccc[n-]1.[Pd+2].
What is the InChIKey of palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)?
The InChIKey is ICWZKUUQDDDLIC-YJCYQSLBSA-N. The full InChI is InChI=1S/2C11H9N2.Pd/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;/h2*1-9H;/q2*-1;+2/b2*13-9+;.
What are the key properties of palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine)?
palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine) has a molecular weight of 444.83 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine) is sourced from PubChem (CID 139084966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).