[3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane

C90H64BN3Si2 — CID 168783562

About [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane

[3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane (PubChem CID 168783562) has the molecular formula C90H64BN3Si2 and a molecular weight of 1254.51 g/mol. Its IUPAC name is [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane
• PubChem CID: 168783562
• Molecular Formula: C90H64BN3Si2
• Molecular Weight: 1254.51 g/mol
• Exact Mass: 1253.47
• IUPAC Name: [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N(c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc1
• InChI: InChI=1S/C90H64BN3Si2/c1-9-34-65(35-10-1)77-52-33-53-78(66-36-11-2-12-37-66)90(77)94-86-59-32-28-55-82(86)91-81-54-27-31-58-85(81)93(87-62-68(63-88(94)89(87)91)92-83-56-29-25-50-79(83)80-51-26-30-57-84(80)92)67-60-75(95(69-38-13-3-14-39-69,70-40-15-4-16-41-70)71-42-17-5-18-43-71)64-76(61-67)96(72-44-19-6-20-45-72,73-46-21-7-22-47-73)74-48-23-8-24-49-74/h1-64H
• InChIKey: WRUDMJBVTDGJOI-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1254.51
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane?

The IUPAC name of [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane (CID 168783562) is [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane.

What is the SMILES notation for [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane?

The canonical SMILES for [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane is c1ccc(-c2cccc(-c3ccccc3)c2N2c3ccccc3B3c4ccccc4N(c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc1.

What is the InChIKey of [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane?

The InChIKey is WRUDMJBVTDGJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64BN3Si2/c1-9-34-65(35-10-1)77-52-33-53-78(66-36-11-2-12-37-66)90(77)94-86-59-32-28-55-82(86)91-81-54-27-31-58-85(81)93(87-62-68(63-88(94)89(87)91)92-83-56-29-25-50-79(83)80-51-26-30-57-84(80)92)67-60-75(95(69-38-13-3-14-39-69,70-40-15-4-16-41-70)71-42-17-5-18-43-71)64-76(61-67)96(72-44-19-6-20-45-72,73-46-21-7-22-47-73)74-48-23-8-24-49-74/h1-64H.

What are the key properties of [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane?

[3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane has a molecular weight of 1254.51 g/mol, XLogP of 14.96, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[11-carbazol-9-yl-14-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-5-triphenylsilylphenyl]-triphenylsilane is sourced from PubChem (CID 168783562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).