palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine

C26H16N2Pd — CID 58233159

IUPACpalladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine
SMILES[Pd+2].[c-]1ccccc1/C=N/c1cccc2ccc(-c3cccc4cccnc34)[c-]c12
InChIInChI=1S/C26H16N2.Pd/c1-2-7-19(8-3-1)18-28-25-13-5-9-20-14-15-22(17-24(20)25)23-12-4-10-21-11-6-16-27-26(21)23;/h1-7,9-16,18H;/q-2;+2/b28-18+;
InChIKeyPZMXMCXQORWMKA-JBQVUESZSA-N
MW462.85 g/mol
LogP6.40
Rot. Bonds3

About palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine

palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine (PubChem CID 58233159) has the molecular formula C26H16N2Pd and a molecular weight of 462.85 g/mol. Its IUPAC name is palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine.

Molecular Properties

Compound Namepalladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine
PubChem CID58233159
Molecular FormulaC26H16N2Pd
Molecular Weight462.85 g/mol
Exact Mass462.03
IUPAC Namepalladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine
SMILES[Pd+2].[c-]1ccccc1/C=N/c1cccc2ccc(-c3cccc4cccnc34)[c-]c12
InChIInChI=1S/C26H16N2.Pd/c1-2-7-19(8-3-1)18-28-25-13-5-9-20-14-15-22(17-24(20)25)23-12-4-10-21-11-6-16-27-26(21)23;/h1-7,9-16,18H;/q-2;+2/b28-18+;
InChIKeyPZMXMCXQORWMKA-JBQVUESZSA-N
XLogP6.40
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 56.40
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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Related Compounds

N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-phenylmethanimine;platinum
CID 58233129
1-(1H-naphthalen-1-id-2-yl)-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine;platinum(2+)
CID 58233176
N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-pyridin-2-ylmethanimine;platinum(2+)
CID 58233097
1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)
CID 58233232
1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;platinum(2+)
CID 58233135
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
CID 135973441
bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798

Frequently Asked Questions

What is the IUPAC name of palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine?
The IUPAC name of palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine (CID 58233159) is palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine.
What is the SMILES notation for palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine?
The canonical SMILES for palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine is [Pd+2].[c-]1ccccc1/C=N/c1cccc2ccc(-c3cccc4cccnc34)[c-]c12.
What is the InChIKey of palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine?
The InChIKey is PZMXMCXQORWMKA-JBQVUESZSA-N. The full InChI is InChI=1S/C26H16N2.Pd/c1-2-7-19(8-3-1)18-28-25-13-5-9-20-14-15-22(17-24(20)25)23-12-4-10-21-11-6-16-27-26(21)23;/h1-7,9-16,18H;/q-2;+2/b28-18+;.
What are the key properties of palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine?
palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine has a molecular weight of 462.85 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine is sourced from PubChem (CID 58233159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).