9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide

C208H160N16Pd4Si4 — CID 157415018

About 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide

9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide (PubChem CID 157415018) has the molecular formula C208H160N16Pd4Si4 and a molecular weight of 3421.70 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide
• PubChem CID: 157415018
• Molecular Formula: C208H160N16Pd4Si4
• Molecular Weight: 3421.70 g/mol
• Exact Mass: 3416.82
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Si]2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)[Si](c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccnc(-n2c3[c-]c([Si]4(c5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c([Si]2(c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c3ccccc3-c3ccccc32)ccc2c3ccccc3n(-c3ccccn3)c12
• InChI: InChI=1S/3C54H44N4Si.C46H28N4Si.4Pd/c1-53(2,3)35-27-29-55-51(31-35)57-45-19-11-7-15-39(45)41-25-23-37(33-47(41)57)59(49-21-13-9-17-43(49)44-18-10-14-22-50(44)59)38-24-26-42-40-16-8-12-20-46(40)58(48(42)34-38)52-32-36(28-30-56-52)54(4,5)6;1-53(2,3)35-21-27-49-43(31-35)44-32-36(54(4,5)6)22-28-50(44)59(49,37-23-25-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-26-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-53(2,3)35-21-25-43-44-26-22-36(54(4,5)6)32-50(44)59(49(43)31-35,37-23-27-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-28-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-5-17-39-33(13-1)35-25-23-31(29-41(35)49(39)45-21-9-11-27-47-45)51(43-19-7-3-15-37(43)38-16-4-8-20-44(38)51)32-24-26-36-34-14-2-6-18-40(34)50(42(36)30-32)46-22-10-12-28-48-46;;;;/h3*7-32H,1-6H3;1-28H;;;;/q4*-2;4*+2
• InChIKey: QDDKSGYYALYHBI-UHFFFAOYSA-N
• XLogP: 38.29
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3421.70
LogP ≤ 5	38.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide (CID 157415018) is 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Si]2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)[Si](c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccnc(-n2c3[c-]c([Si]4(c5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c([Si]2(c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c3ccccc3-c3ccccc32)ccc2c3ccccc3n(-c3ccccn3)c12.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide?

The InChIKey is QDDKSGYYALYHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H44N4Si.C46H28N4Si.4Pd/c1-53(2,3)35-27-29-55-51(31-35)57-45-19-11-7-15-39(45)41-25-23-37(33-47(41)57)59(49-21-13-9-17-43(49)44-18-10-14-22-50(44)59)38-24-26-42-40-16-8-12-20-46(40)58(48(42)34-38)52-32-36(28-30-56-52)54(4,5)6;1-53(2,3)35-21-27-49-43(31-35)44-32-36(54(4,5)6)22-28-50(44)59(49,37-23-25-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-26-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-53(2,3)35-21-25-43-44-26-22-36(54(4,5)6)32-50(44)59(49(43)31-35,37-23-27-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-28-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-5-17-39-33(13-1)35-25-23-31(29-41(35)49(39)45-21-9-11-27-47-45)51(43-19-7-3-15-37(43)38-16-4-8-20-44(38)51)32-24-26-36-34-14-2-6-18-40(34)50(42(36)30-32)46-22-10-12-28-48-46;;;;/h3*7-32H,1-6H3;1-28H;;;;/q4*-2;4*+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide?

9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide has a molecular weight of 3421.70 g/mol, XLogP of 38.29, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[5-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide;2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+));9-pyridin-2-yl-2-[5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 157415018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).