[4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane

C90H64BN3Si2 — CID 168784381

About [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane

[4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane (PubChem CID 168784381) has the molecular formula C90H64BN3Si2 and a molecular weight of 1254.51 g/mol. Its IUPAC name is [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane
• PubChem CID: 168784381
• Molecular Formula: C90H64BN3Si2
• Molecular Weight: 1254.51 g/mol
• Exact Mass: 1253.47
• IUPAC Name: [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc3c(c2)N(c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-c3ccccc3)cc2N4c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C90H64BN3Si2/c1-9-29-65(30-10-1)67-49-59-82-86(61-67)92(69-51-55-78(56-52-69)95(72-33-13-3-14-34-72,73-35-15-4-16-36-73)74-37-17-5-18-38-74)88-63-71(94-84-47-27-25-45-80(84)81-46-26-28-48-85(81)94)64-89-90(88)91(82)83-60-50-68(66-31-11-2-12-32-66)62-87(83)93(89)70-53-57-79(58-54-70)96(75-39-19-6-20-40-75,76-41-21-7-22-42-76)77-43-23-8-24-44-77/h1-64H
• InChIKey: DOVFGZMASHYTDL-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 [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane (CID 168784381) is [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc3c(c2)N(c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-c3ccccc3)cc2N4c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane?

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

What are the key properties of [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane?

[4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-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 [4-[11-carbazol-9-yl-5,17-diphenyl-14-(4-triphenylsilylphenyl)-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-8-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168784381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).