acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)

C84H100N4O6Pd2 — CID 157178416

About acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)

acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+) (PubChem CID 157178416) has the molecular formula C84H100N4O6Pd2 and a molecular weight of 1474.59 g/mol. Its IUPAC name is acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+).

Molecular Properties

• Compound Name: acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)
• PubChem CID: 157178416
• Molecular Formula: C84H100N4O6Pd2
• Molecular Weight: 1474.59 g/mol
• Exact Mass: 1472.57
• IUPAC Name: acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)
• SMILES: CC#CC#CC#CC.CC(=O)O.CC(=O)O.CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(Oc2cc(-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)ccn2)c1.[Pd+2].[Pd]
• InChI: InChI=1S/C38H48N2O.C34H38N2O.C8H6.2C2H4O2.2Pd/c1-35(2,3)27-13-15-39-33(23-27)25-17-29(37(7,8)9)21-31(19-25)41-32-20-26(18-30(22-32)38(10,11)12)34-24-28(14-16-40-34)36(4,5)6;1-32(2,3)25-13-15-36-31(22-25)24-17-27(34(7,8)9)21-29(19-24)37-28-18-23(30-12-10-11-14-35-30)16-26(20-28)33(4,5)6;1-3-5-7-8-6-4-2;2*1-2(3)4;;/h13-24H,1-12H3;10-17,20-22H,1-9H3;1-2H3;2*1H3,(H,3,4);;/q;-2;;;;;+2
• InChIKey: RZIFPOIUFLGWAD-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 144.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1474.59
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)?

The IUPAC name of acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+) (CID 157178416) is acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+).

What is the SMILES notation for acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)?

The canonical SMILES for acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+) is CC#CC#CC#CC.CC(=O)O.CC(=O)O.CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[c-]c(-c2ccccn2)c1.CC(C)(C)c1cc(Oc2cc(-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)ccn2)c1.[Pd+2].[Pd].

What is the InChIKey of acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)?

The InChIKey is RZIFPOIUFLGWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N2O.C34H38N2O.C8H6.2C2H4O2.2Pd/c1-35(2,3)27-13-15-39-33(23-27)25-17-29(37(7,8)9)21-31(19-25)41-32-20-26(18-30(22-32)38(10,11)12)34-24-28(14-16-40-34)36(4,5)6;1-32(2,3)25-13-15-36-31(22-25)24-17-27(34(7,8)9)21-29(19-24)37-28-18-23(30-12-10-11-14-35-30)16-26(20-28)33(4,5)6;1-3-5-7-8-6-4-2;2*1-2(3)4;;/h13-24H,1-12H3;10-17,20-22H,1-9H3;1-2H3;2*1H3,(H,3,4);;/q;-2;;;;;+2.

What are the key properties of acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)?

acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+) has a molecular weight of 1474.59 g/mol, XLogP of 21.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+) is sourced from PubChem (CID 157178416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).