[3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane

C90H64BN3Si2 — CID 168783394

About [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane

[3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane (PubChem CID 168783394) has the molecular formula C90H64BN3Si2 and a molecular weight of 1254.51 g/mol. Its IUPAC name is [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
• PubChem CID: 168783394
• Molecular Formula: C90H64BN3Si2
• Molecular Weight: 1254.51 g/mol
• Exact Mass: 1253.47
• IUPAC Name: [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc(N3c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4B4c5c(-c6ccccc6)cccc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1
• InChI: InChI=1S/C90H64BN3Si2/c1-9-31-65(32-10-1)66-55-57-68(58-56-66)92-86-64-78(96(74-42-19-6-20-43-74,75-44-21-7-22-45-75)76-46-23-8-24-47-76)59-60-82(86)91-89-79(67-33-11-2-12-34-67)51-30-54-85(89)93(88-63-70(62-87(92)90(88)91)94-83-52-27-25-49-80(83)81-50-26-28-53-84(81)94)69-35-29-48-77(61-69)95(71-36-13-3-14-37-71,72-38-15-4-16-39-72)73-40-17-5-18-41-73/h1-64H
• InChIKey: NUUYSJTXARLDLW-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-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane (CID 168783394) is [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc(N3c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4B4c5c(-c6ccccc6)cccc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1.

What is the InChIKey of [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

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

What are the key properties of [3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

[3-[11-carbazol-9-yl-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-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-3-phenyl-14-(4-phenylphenyl)-17-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168783394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).