1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)

C30H18N2Pd — CID 58233232

IUPAC1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)
SMILES[Pd+2].[c-]1c(-c2cccc3ccc[c-]c23)ccc2cccc(/N=C/c3nccc4ccccc34)c12
InChIInChI=1S/C30H18N2.Pd/c1-3-11-25-21(7-1)9-5-13-26(25)24-16-15-22-10-6-14-29(28(22)19-24)32-20-30-27-12-4-2-8-23(27)17-18-31-30;/h1-10,12-18,20H;/q-2;+2/b32-20+;
InChIKeyFDUGTDHGFSLJPG-AFMAXSDVSA-N
MW512.91 g/mol
LogP7.56
Rot. Bonds3

About 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)

1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+) (PubChem CID 58233232) has the molecular formula C30H18N2Pd and a molecular weight of 512.91 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+).

Molecular Properties

Compound Name1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)
PubChem CID58233232
Molecular FormulaC30H18N2Pd
Molecular Weight512.91 g/mol
Exact Mass512.05
IUPAC Name1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)
SMILES[Pd+2].[c-]1c(-c2cccc3ccc[c-]c23)ccc2cccc(/N=C/c3nccc4ccccc34)c12
InChIInChI=1S/C30H18N2.Pd/c1-3-11-25-21(7-1)9-5-13-26(25)24-16-15-22-10-6-14-29(28(22)19-24)32-20-30-27-12-4-2-8-23(27)17-18-31-30;/h1-10,12-18,20H;/q-2;+2/b32-20+;
InChIKeyFDUGTDHGFSLJPG-AFMAXSDVSA-N
XLogP7.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.91
LogP ≤ 57.56
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

1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;platinum(2+)
CID 58233135
N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-pyridin-2-ylmethanimine;platinum(2+)
CID 58233097
N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-phenylmethanimine;platinum
CID 58233129
palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine
CID 58233159
1-(1H-naphthalen-1-id-2-yl)-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine;platinum(2+)
CID 58233176
lithium 8-naphthalen-1-yl-1H-naphthalen-1-ide
CID 177406030
1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)
CID 58233109
CID 58652174
CID 58652174
10H-benzo[h]quinolin-10-ide;1-(4-ethenylbenzene-6-id-1-yl)isoquinoline;iridium
CID 59523930
iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
hydron;isoquinoline-1-carbaldehyde
CID 174514236

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)?
The IUPAC name of 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+) (CID 58233232) is 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+).
What is the SMILES notation for 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)?
The canonical SMILES for 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+) is [Pd+2].[c-]1c(-c2cccc3ccc[c-]c23)ccc2cccc(/N=C/c3nccc4ccccc34)c12.
What is the InChIKey of 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)?
The InChIKey is FDUGTDHGFSLJPG-AFMAXSDVSA-N. The full InChI is InChI=1S/C30H18N2.Pd/c1-3-11-25-21(7-1)9-5-13-26(25)24-16-15-22-10-6-14-29(28(22)19-24)32-20-30-27-12-4-2-8-23(27)17-18-31-30;/h1-10,12-18,20H;/q-2;+2/b32-20+;.
What are the key properties of 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)?
1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+) has a molecular weight of 512.91 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+) is sourced from PubChem (CID 58233232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).