[3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))

C116H78N6Pd2S2Si4 — CID 163518543

About [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))

[3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)) (PubChem CID 163518543) has the molecular formula C116H78N6Pd2S2Si4 and a molecular weight of 1945.26 g/mol. Its IUPAC name is [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)).

Molecular Properties

• Compound Name: [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))
• PubChem CID: 163518543
• Molecular Formula: C116H78N6Pd2S2Si4
• Molecular Weight: 1945.26 g/mol
• Exact Mass: 1942.29
• IUPAC Name: [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))
• SMILES: [Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c(N2c3cc4c(cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)sc2ccccc24)ccc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c(N2c3cc4sc5ccccc5c4cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)ccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C58H39N3SSi2.2Pd/c1-5-22-44(23-6-1)63(45-24-7-2-8-25-45,48-30-17-20-42(38-48)52-33-15-16-36-59-52)49-31-18-21-43(39-49)61-53-41-55-51(50-32-13-14-34-54(50)62-55)40-57(53)64(46-26-9-3-10-27-46,47-28-11-4-12-29-47)56-35-19-37-60-58(56)61;1-5-22-44(23-6-1)63(45-24-7-2-8-25-45,48-30-17-20-42(38-48)52-33-15-16-36-59-52)49-31-18-21-43(39-49)61-53-40-51-50-32-13-14-34-54(50)62-55(51)41-57(53)64(46-26-9-3-10-27-46,47-28-11-4-12-29-47)56-35-19-37-60-58(56)61;;/h2*1-37,40-41H;;/q2*-2;2*+2
• InChIKey: LRRJQHCNPCHULV-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 58.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1945.26
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))?

The IUPAC name of [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)) (CID 163518543) is [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)).

What is the SMILES notation for [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))?

The canonical SMILES for [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)) is [Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c(N2c3cc4c(cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)sc2ccccc24)ccc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c(N2c3cc4sc5ccccc5c4cc3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)ccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))?

The InChIKey is LRRJQHCNPCHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H39N3SSi2.2Pd/c1-5-22-44(23-6-1)63(45-24-7-2-8-25-45,48-30-17-20-42(38-48)52-33-15-16-36-59-52)49-31-18-21-43(39-49)61-53-41-55-51(50-32-13-14-34-54(50)62-55)40-57(53)64(46-26-9-3-10-27-46,47-28-11-4-12-29-47)56-35-19-37-60-58(56)61;1-5-22-44(23-6-1)63(45-24-7-2-8-25-45,48-30-17-20-42(38-48)52-33-15-16-36-59-52)49-31-18-21-43(39-49)61-53-40-51-50-32-13-14-34-54(50)62-55(51)41-57(53)64(46-26-9-3-10-27-46,47-28-11-4-12-29-47)56-35-19-37-60-58(56)61;;/h2*1-37,40-41H;;/q2*-2;2*+2.

What are the key properties of [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+))?

[3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)) has a molecular weight of 1945.26 g/mol, XLogP of 17.29, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(14,14-diphenyl-10-thia-19,21-diaza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-21-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;[3-(21,21-diphenyl-10-thia-14,16-diaza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)benzene-2-id-1-yl]-diphenyl-(3-pyridin-2-ylbenzene-2-id-1-yl)silane;bis(palladium(2+)) is sourced from PubChem (CID 163518543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).