palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide

C53H34N3OPdSi-3 — CID 162483064

About palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide

palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide (PubChem CID 162483064) has the molecular formula C53H34N3OPdSi-3 and a molecular weight of 863.38 g/mol. Its IUPAC name is palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide.

Molecular Properties

• Compound Name: palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide
• PubChem CID: 162483064
• Molecular Formula: C53H34N3OPdSi-3
• Molecular Weight: 863.38 g/mol
• Exact Mass: 862.15
• IUPAC Name: palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide
• SMILES: [Pd].[c-]1c(Oc2[c-]c(N3c4[c-]cccc4[Si](c4ccccc4)(c4ccccc4)c4c3ccc3c5ccccc5n(-c5ccccc5)c43)ccc2)cccc1-c1ccccn1
• InChI: InChI=1S/C53H34N3OSi.Pd/c1-4-19-39(20-5-1)56-48-30-11-10-28-45(48)46-33-34-50-53(52(46)56)58(43-24-6-2-7-25-43,44-26-8-3-9-27-44)51-32-13-12-31-49(51)55(50)40-21-17-23-42(37-40)57-41-22-16-18-38(36-41)47-29-14-15-35-54-47;/h1-30,32-35H;/q-3
• InChIKey: ARBWTYACLYZZRF-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 30.29 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.38
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide?

The IUPAC name of palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide (CID 162483064) is palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide.

What is the SMILES notation for palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide?

The canonical SMILES for palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide is [Pd].[c-]1c(Oc2[c-]c(N3c4[c-]cccc4[Si](c4ccccc4)(c4ccccc4)c4c3ccc3c5ccccc5n(-c5ccccc5)c43)ccc2)cccc1-c1ccccn1.

What is the InChIKey of palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide?

The InChIKey is ARBWTYACLYZZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N3OSi.Pd/c1-4-19-39(20-5-1)56-48-30-11-10-28-45(48)46-33-34-50-53(52(46)56)58(43-24-6-2-7-25-43,44-26-8-3-9-27-44)51-32-13-12-31-49(51)55(50)40-21-17-23-42(37-40)57-41-22-16-18-38(36-41)47-29-14-15-35-54-47;/h1-30,32-35H;/q-3;.

What are the key properties of palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide?

palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide has a molecular weight of 863.38 g/mol, XLogP of 10.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for palladium;12,13,13-triphenyl-5-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4H-[1,4]benzazasilino[3,2-a]carbazol-4-ide is sourced from PubChem (CID 162483064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).