palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline

C28H18N2Pd — CID 58251438

IUPACpalladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline
SMILES[C-](=C/c1ccccn1)\c1ccccc1-c1cc2ccccc2c(-c2[c-]cccc2)n1.[Pd+2]
InChIInChI=1S/C28H18N2.Pd/c1-2-11-22(12-3-1)28-26-16-7-5-13-23(26)20-27(30-28)25-15-6-4-10-21(25)17-18-24-14-8-9-19-29-24;/h1-11,13-16,18-20H;/q-2;+2
InChIKeyHSNHZLQGFRJSPJ-UHFFFAOYSA-N
MW488.89 g/mol
LogP6.63
Rot. Bonds4

About palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline

palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline (PubChem CID 58251438) has the molecular formula C28H18N2Pd and a molecular weight of 488.89 g/mol. Its IUPAC name is palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline.

Molecular Properties

Compound Namepalladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline
PubChem CID58251438
Molecular FormulaC28H18N2Pd
Molecular Weight488.89 g/mol
Exact Mass488.05
IUPAC Namepalladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline
SMILES[C-](=C/c1ccccn1)\c1ccccc1-c1cc2ccccc2c(-c2[c-]cccc2)n1.[Pd+2]
InChIInChI=1S/C28H18N2.Pd/c1-2-11-22(12-3-1)28-26-16-7-5-13-23(26)20-27(30-28)25-15-6-4-10-21(25)17-18-24-14-8-9-19-29-24;/h1-11,13-16,18-20H;/q-2;+2
InChIKeyHSNHZLQGFRJSPJ-UHFFFAOYSA-N
XLogP6.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline 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

3-(1,2-diphenyl-4-pyridin-2-ylbuta-1,3-dienyl)-1-phenylisoquinoline;palladium(2+)
CID 158462069
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
CID 161320383
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
iridium;1-phenyl-3-propylisoquinoline
CID 58850587
iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;1-phenyl-3-[(9R)-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]isoquinoline
CID 170514254
1-chloro-3-phenylisoquinoline;tungsten
CID 59216563
(1Z,3Z)-1-[(6-phenyl-2-pyridinyl)methylidene]-3-(pyridin-2-ylmethylidene)isoindol-2-ide;platinum(2+)
CID 155601727
CID 158059987
CID 158059987
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol;platinum
CID 171732517
tris(iridium);6-phenylphenanthridine;6-(3H-pyridin-3-id-2-yl)phenanthridine;6-(3H-quinolin-3-id-2-yl)phenanthridine
CID 161392879
iridium;tris(2-phenylpyridine)
CID 23386734

Frequently Asked Questions

What is the IUPAC name of palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline?
The IUPAC name of palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline (CID 58251438) is palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline.
What is the SMILES notation for palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline?
The canonical SMILES for palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline is [C-](=C/c1ccccn1)\c1ccccc1-c1cc2ccccc2c(-c2[c-]cccc2)n1.[Pd+2].
What is the InChIKey of palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline?
The InChIKey is HSNHZLQGFRJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2.Pd/c1-2-11-22(12-3-1)28-26-16-7-5-13-23(26)20-27(30-28)25-15-6-4-10-21(25)17-18-24-14-8-9-19-29-24;/h1-11,13-16,18-20H;/q-2;+2.
What are the key properties of palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline?
palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline has a molecular weight of 488.89 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);1-phenyl-3-[2-(2-pyridin-2-ylethenyl)phenyl]isoquinoline is sourced from PubChem (CID 58251438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).