[11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane

C102H70BN5Si2 — CID 168783838

About [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane

[11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane (PubChem CID 168783838) has the molecular formula C102H70BN5Si2 and a molecular weight of 1432.70 g/mol. Its IUPAC name is [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane
• PubChem CID: 168783838
• Molecular Formula: C102H70BN5Si2
• Molecular Weight: 1432.70 g/mol
• Exact Mass: 1431.53
• IUPAC Name: [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)N(c2ccc(-n4c5ccccc5c5ccccc54)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2N4c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C102H70BN5Si2/c1-7-31-76(32-8-1)109(77-33-9-2-10-34-77,78-35-11-3-12-36-78)82-63-65-90-98(69-82)106(73-59-55-71(56-60-73)104-92-49-25-19-43-84(92)85-44-20-26-50-93(85)104)100-67-75(108-96-53-29-23-47-88(96)89-48-24-30-54-97(89)108)68-101-102(100)103(90)91-66-64-83(110(79-37-13-4-14-38-79,80-39-15-5-16-40-80)81-41-17-6-18-42-81)70-99(91)107(101)74-61-57-72(58-62-74)105-94-51-27-21-45-86(94)87-46-22-28-52-95(87)105/h1-70H
• InChIKey: ULUKQVYPGZWMJS-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 21.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1432.70
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane?

The IUPAC name of [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane (CID 168783838) is [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane.

What is the SMILES notation for [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane?

The canonical SMILES for [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)N(c2ccc(-n4c5ccccc5c5ccccc54)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2N4c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane?

The InChIKey is ULUKQVYPGZWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70BN5Si2/c1-7-31-76(32-8-1)109(77-33-9-2-10-34-77,78-35-11-3-12-36-78)82-63-65-90-98(69-82)106(73-59-55-71(56-60-73)104-92-49-25-19-43-84(92)85-44-20-26-50-93(85)104)100-67-75(108-96-53-29-23-47-88(96)89-48-24-30-54-97(89)108)68-101-102(100)103(90)91-66-64-83(110(79-37-13-4-14-38-79,80-39-15-5-16-40-80)81-41-17-6-18-42-81)70-99(91)107(101)74-61-57-72(58-62-74)105-94-51-27-21-45-86(94)87-46-22-28-52-95(87)105/h1-70H.

What are the key properties of [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane?

[11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane has a molecular weight of 1432.70 g/mol, XLogP of 17.82, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [11-carbazol-9-yl-8,14-bis(4-carbazol-9-ylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-triphenylsilane is sourced from PubChem (CID 168783838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).