1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)

C32H20N2Pd — CID 58233109

IUPAC1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)
SMILES[Pd+2].[c-]1c(/C=N/c2ccc3ccccc3c2-c2[c-]cccc2)cccc1-c1nccc2ccccc12
InChIInChI=1S/C32H20N2.Pd/c1-2-12-26(13-3-1)31-28-15-6-4-10-24(28)17-18-30(31)34-22-23-9-8-14-27(21-23)32-29-16-7-5-11-25(29)19-20-33-32;/h1-12,14-20,22H;/q-2;+2/b34-22+;
InChIKeyYKSOVZQKOQWURK-VTOGSIEWSA-N
MW538.95 g/mol
LogP8.07
Rot. Bonds4

About 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)

1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+) (PubChem CID 58233109) has the molecular formula C32H20N2Pd and a molecular weight of 538.95 g/mol. Its IUPAC name is 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+).

Molecular Properties

Compound Name1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)
PubChem CID58233109
Molecular FormulaC32H20N2Pd
Molecular Weight538.95 g/mol
Exact Mass538.07
IUPAC Name1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)
SMILES[Pd+2].[c-]1c(/C=N/c2ccc3ccccc3c2-c2[c-]cccc2)cccc1-c1nccc2ccccc12
InChIInChI=1S/C32H20N2.Pd/c1-2-12-26(13-3-1)31-28-15-6-4-10-24(28)17-18-30(31)34-22-23-9-8-14-27(21-23)32-29-16-7-5-11-25(29)19-20-33-32;/h1-12,14-20,22H;/q-2;+2/b34-22+;
InChIKeyYKSOVZQKOQWURK-VTOGSIEWSA-N
XLogP8.07
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.95
LogP ≤ 58.07
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'}

Analyze 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
chloroplatinum(1+);1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)isoquinoline
CID 21024818
iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
CID 59404042
CID 59865379
CID 59865379
1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;palladium(2+)
CID 58233232
iridium(3+);1-methanidyl-2-phenylpyridin-1-ium;1-phenylisoquinoline
CID 155624636
1-isoquinolin-1-yl-N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]methanimine;platinum(2+)
CID 58233135
palladium(2+);1-phenyl-N-(7-quinolin-8-yl-8H-naphthalen-8-id-1-yl)methanimine
CID 58233159
1-[3,5-bis(trideuteriomethyl)benzene-6-id-1-yl]isoquinoline;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59546908
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
1-[1-adamantyl(phenyl)phosphoryl]adamantane;iridium;1-phenylisoquinoline
CID 164702262
1-(2,6-dichlorophenyl)-N-[1-[2-[(2,6-dichlorophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11114666

Frequently Asked Questions

What is the IUPAC name of 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)?
The IUPAC name of 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+) (CID 58233109) is 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+).
What is the SMILES notation for 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)?
The canonical SMILES for 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+) is [Pd+2].[c-]1c(/C=N/c2ccc3ccccc3c2-c2[c-]cccc2)cccc1-c1nccc2ccccc12.
What is the InChIKey of 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)?
The InChIKey is YKSOVZQKOQWURK-VTOGSIEWSA-N. The full InChI is InChI=1S/C32H20N2.Pd/c1-2-12-26(13-3-1)31-28-15-6-4-10-24(28)17-18-30(31)34-22-23-9-8-14-27(21-23)32-29-16-7-5-11-25(29)19-20-33-32;/h1-12,14-20,22H;/q-2;+2/b34-22+;.
What are the key properties of 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+)?
1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+) has a molecular weight of 538.95 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-N-(1-phenylnaphthalen-2-yl)methanimine;palladium(2+) is sourced from PubChem (CID 58233109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).