palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)

C38H34N2O2Pd — CID 139246617

IUPACpalladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)
SMILESC[C@H](/N=C/c1ccc2ccccc2c1O)c1ccccc1.C[C@H](/N=C\c1ccc2ccccc2c1O)c1ccccc1.[Pd]
InChIInChI=1S/2C19H17NO.Pd/c2*1-14(15-7-3-2-4-8-15)20-13-17-12-11-16-9-5-6-10-18(16)19(17)21;/h2*2-14,21H,1H3;/b20-13+;20-13-;/t2*14-;/m00./s1
InChIKeyWQJVEUWLRJIQFY-IPOVHFGTSA-N
MW657.12 g/mol
LogP9.45
Rot. Bonds6

About palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)

palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol) (PubChem CID 139246617) has the molecular formula C38H34N2O2Pd and a molecular weight of 657.12 g/mol. Its IUPAC name is palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol).

Molecular Properties

Compound Namepalladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)
PubChem CID139246617
Molecular FormulaC38H34N2O2Pd
Molecular Weight657.12 g/mol
Exact Mass656.17
IUPAC Namepalladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)
SMILESC[C@H](/N=C/c1ccc2ccccc2c1O)c1ccccc1.C[C@H](/N=C\c1ccc2ccccc2c1O)c1ccccc1.[Pd]
InChIInChI=1S/2C19H17NO.Pd/c2*1-14(15-7-3-2-4-8-15)20-13-17-12-11-16-9-5-6-10-18(16)19(17)21;/h2*2-14,21H,1H3;/b20-13+;20-13-;/t2*14-;/m00./s1
InChIKeyWQJVEUWLRJIQFY-IPOVHFGTSA-N
XLogP9.45
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.12
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)?
The IUPAC name of palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol) (CID 139246617) is palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol).
What is the SMILES notation for palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)?
The canonical SMILES for palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol) is C[C@H](/N=C/c1ccc2ccccc2c1O)c1ccccc1.C[C@H](/N=C\c1ccc2ccccc2c1O)c1ccccc1.[Pd].
What is the InChIKey of palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)?
The InChIKey is WQJVEUWLRJIQFY-IPOVHFGTSA-N. The full InChI is InChI=1S/2C19H17NO.Pd/c2*1-14(15-7-3-2-4-8-15)20-13-17-12-11-16-9-5-6-10-18(16)19(17)21;/h2*2-14,21H,1H3;/b20-13+;20-13-;/t2*14-;/m00./s1.
What are the key properties of palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)?
palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol) has a molecular weight of 657.12 g/mol, XLogP of 9.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol) is sourced from PubChem (CID 139246617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).