palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)

C38H28N2Pd — CID 58251376

IUPACpalladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)
SMILES[Pd+2].[c-]1ccc(-c2ccccc2)cc1/C=N/c1ccccc1.[c-]1ccc(-c2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/2C19H14N.Pd/c2*1-3-9-17(10-4-1)18-11-7-8-16(14-18)15-20-19-12-5-2-6-13-19;/h2*1-7,9-15H;/q2*-1;+2/b2*20-15+;
InChIKeyZZIAHUVITHGSPE-ZERXMCLBSA-N
MW619.08 g/mol
LogP9.81
Rot. Bonds6

About palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)

palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine) (PubChem CID 58251376) has the molecular formula C38H28N2Pd and a molecular weight of 619.08 g/mol. Its IUPAC name is palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine).

Molecular Properties

Compound Namepalladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)
PubChem CID58251376
Molecular FormulaC38H28N2Pd
Molecular Weight619.08 g/mol
Exact Mass618.13
IUPAC Namepalladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)
SMILES[Pd+2].[c-]1ccc(-c2ccccc2)cc1/C=N/c1ccccc1.[c-]1ccc(-c2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/2C19H14N.Pd/c2*1-3-9-17(10-4-1)18-11-7-8-16(14-18)15-20-19-12-5-2-6-13-19;/h2*1-7,9-15H;/q2*-1;+2/b2*20-15+;
InChIKeyZZIAHUVITHGSPE-ZERXMCLBSA-N
XLogP9.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.08
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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-(3-phenylbenzene-6-id-1-yl)methanimine)?
The IUPAC name of palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine) (CID 58251376) is palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine).
What is the SMILES notation for palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)?
The canonical SMILES for palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine) is [Pd+2].[c-]1ccc(-c2ccccc2)cc1/C=N/c1ccccc1.[c-]1ccc(-c2ccccc2)cc1/C=N/c1ccccc1.
What is the InChIKey of palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)?
The InChIKey is ZZIAHUVITHGSPE-ZERXMCLBSA-N. The full InChI is InChI=1S/2C19H14N.Pd/c2*1-3-9-17(10-4-1)18-11-7-8-16(14-18)15-20-19-12-5-2-6-13-19;/h2*1-7,9-15H;/q2*-1;+2/b2*20-15+;.
What are the key properties of palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine)?
palladium(2+);bis(N-phenyl-1-(3-phenylbenzene-6-id-1-yl)methanimine) has a molecular weight of 619.08 g/mol, XLogP of 9.81, 6 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-(3-phenylbenzene-6-id-1-yl)methanimine) is sourced from PubChem (CID 58251376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).