2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)

C30H30N2OPd — CID 162455137

IUPAC2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)
SMILESCC(C)(C)c1ccc(Oc2[c-]c(-c3ccccn3)c(C(C)(C)C)cc2)[c-]c1-c1ccccn1.[Pd+2]
InChIInChI=1S/C30H30N2O.Pd/c1-29(2,3)25-15-13-21(19-23(25)27-11-7-9-17-31-27)33-22-14-16-26(30(4,5)6)24(20-22)28-12-8-10-18-32-28;/h7-18H,1-6H3;/q-2;+2
InChIKeyGQSVIFJAZJMZQL-UHFFFAOYSA-N
MW541.00 g/mol
LogP7.80
Rot. Bonds4

About 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)

2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+) (PubChem CID 162455137) has the molecular formula C30H30N2OPd and a molecular weight of 541.00 g/mol. Its IUPAC name is 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+).

Molecular Properties

Compound Name2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)
PubChem CID162455137
Molecular FormulaC30H30N2OPd
Molecular Weight541.00 g/mol
Exact Mass540.14
IUPAC Name2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)
SMILESCC(C)(C)c1ccc(Oc2[c-]c(-c3ccccn3)c(C(C)(C)C)cc2)[c-]c1-c1ccccn1.[Pd+2]
InChIInChI=1S/C30H30N2O.Pd/c1-29(2,3)25-15-13-21(19-23(25)27-11-7-9-17-31-27)33-22-14-16-26(30(4,5)6)24(20-22)28-12-8-10-18-32-28;/h7-18H,1-6H3;/q-2;+2
InChIKeyGQSVIFJAZJMZQL-UHFFFAOYSA-N
XLogP7.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.00
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;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

2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451616
4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451623
2-(2-tert-butylphenyl)pyridine
CID 67807360
2-(4-tert-butylnaphthalen-1-yl)pyridine
CID 171748905
4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153429120
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
CID 165161257
CID 165161257
4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
CID 153428928
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)?
The IUPAC name of 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+) (CID 162455137) is 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+).
What is the SMILES notation for 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)?
The canonical SMILES for 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+) is CC(C)(C)c1ccc(Oc2[c-]c(-c3ccccn3)c(C(C)(C)C)cc2)[c-]c1-c1ccccn1.[Pd+2].
What is the InChIKey of 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)?
The InChIKey is GQSVIFJAZJMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O.Pd/c1-29(2,3)25-15-13-21(19-23(25)27-11-7-9-17-31-27)33-22-14-16-26(30(4,5)6)24(20-22)28-12-8-10-18-32-28;/h7-18H,1-6H3;/q-2;+2.
What are the key properties of 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)?
2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+) has a molecular weight of 541.00 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+) is sourced from PubChem (CID 162455137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).