[4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane

C86H72BN3Si2 — CID 168783911

About [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane

[4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane (PubChem CID 168783911) has the molecular formula C86H72BN3Si2 and a molecular weight of 1214.53 g/mol. Its IUPAC name is [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane
• PubChem CID: 168783911
• Molecular Formula: C86H72BN3Si2
• Molecular Weight: 1214.53 g/mol
• Exact Mass: 1213.54
• IUPAC Name: [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane
• SMILES: CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3ccc(C(C)(C)C)cc3N4c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3c2cccc3[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C86H72BN3Si2/c1-85(2,3)61-48-51-63(52-49-61)88-78-46-29-47-82(92(69-36-19-10-20-37-69,70-38-21-11-22-39-70)71-40-23-12-24-41-71)84(78)87-75-57-50-62(86(4,5)6)58-79(75)89(81-60-65(59-80(88)83(81)87)90-76-44-27-25-42-73(76)74-43-26-28-45-77(74)90)64-53-55-72(56-54-64)91(66-30-13-7-14-31-66,67-32-15-8-16-33-67)68-34-17-9-18-35-68/h7-60H,1-6H3
• InChIKey: KMTKXXMSDBDDKE-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.53
LogP ≤ 5	14.22
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-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane (CID 168783911) is [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane is CC(C)(C)c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3ccc(C(C)(C)C)cc3N4c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3c2cccc3[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane?

The InChIKey is KMTKXXMSDBDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H72BN3Si2/c1-85(2,3)61-48-51-63(52-49-61)88-78-46-29-47-82(92(69-36-19-10-20-37-69,70-38-21-11-22-39-70)71-40-23-12-24-41-71)84(78)87-75-57-50-62(86(4,5)6)58-79(75)89(81-60-65(59-80(88)83(81)87)90-76-44-27-25-42-73(76)74-43-26-28-45-77(74)90)64-53-55-72(56-54-64)91(66-30-13-7-14-31-66,67-32-15-8-16-33-67)68-34-17-9-18-35-68/h7-60H,1-6H3.

What are the key properties of [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane?

[4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane has a molecular weight of 1214.53 g/mol, XLogP of 14.22, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-tert-butyl-14-(4-tert-butylphenyl)-11-carbazol-9-yl-19-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-8-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168783911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).