[11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane

C54H36BNO2Si — CID 177104315

About [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane

[11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane (PubChem CID 177104315) has the molecular formula C54H36BNO2Si and a molecular weight of 769.79 g/mol. Its IUPAC name is [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane
• PubChem CID: 177104315
• Molecular Formula: C54H36BNO2Si
• Molecular Weight: 769.79 g/mol
• Exact Mass: 769.26
• IUPAC Name: [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)OB2c4ccccc4Oc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc-3c42)cc1
• InChI: InChI=1S/C54H36BNO2Si/c1-4-16-40(17-5-1)59(41-18-6-2-7-19-41,42-20-8-3-9-21-42)43-32-33-46-47-34-38(35-53-54(47)55(58-52(46)36-43)48-24-12-15-27-51(48)57-53)37-28-30-39(31-29-37)56-49-25-13-10-22-44(49)45-23-11-14-26-50(45)56/h1-36H
• InChIKey: XAMLSFQBEQBIAZ-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.79
LogP ≤ 5	9.10
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 [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane?

The IUPAC name of [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane (CID 177104315) is [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane.

What is the SMILES notation for [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane?

The canonical SMILES for [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)OB2c4ccccc4Oc4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc-3c42)cc1.

What is the InChIKey of [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane?

The InChIKey is XAMLSFQBEQBIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36BNO2Si/c1-4-16-40(17-5-1)59(41-18-6-2-7-19-41,42-20-8-3-9-21-42)43-32-33-46-47-34-38(35-53-54(47)55(58-52(46)36-43)48-24-12-15-27-51(48)57-53)37-28-30-39(31-29-37)56-49-25-13-10-22-44(49)45-23-11-14-26-50(45)56/h1-36H.

What are the key properties of [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane?

[11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane has a molecular weight of 769.79 g/mol, XLogP of 9.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [11-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]-triphenylsilane is sourced from PubChem (CID 177104315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).