[3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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

C90H64BN3Si2 — CID 168783815

About [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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

[3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 168783815) has the molecular formula C90H64BN3Si2 and a molecular weight of 1254.51 g/mol. Its IUPAC name is [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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: [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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: 168783815
• Molecular Formula: C90H64BN3Si2
• Molecular Weight: 1254.51 g/mol
• Exact Mass: 1253.47
• IUPAC Name: [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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: c1ccc(-c2ccc(N3c4cc(-n5c6ccccc6c6ccccc65)cc5c4B(c4ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc4N5c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4cccc(-c5ccccc5)c43)cc2)cc1
• InChI: InChI=1S/C90H64BN3Si2/c1-9-31-65(32-10-1)66-55-57-68(58-56-66)94-88-63-70(93-84-53-27-25-49-80(84)81-50-26-28-54-85(81)93)62-87-89(88)91(83-52-30-51-79(90(83)94)67-33-11-2-12-34-67)82-60-59-78(96(74-42-19-6-20-43-74,75-44-21-7-22-45-75)76-46-23-8-24-47-76)64-86(82)92(87)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: XDIAAXBTAJPWLP-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-16-phenyl-14-(4-phenylphenyl)-5-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 [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 168783815) is [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 c1ccc(-c2ccc(N3c4cc(-n5c6ccccc6c6ccccc65)cc5c4B(c4ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc4N5c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4cccc(-c5ccccc5)c43)cc2)cc1.

What is the InChIKey of [3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 XDIAAXBTAJPWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64BN3Si2/c1-9-31-65(32-10-1)66-55-57-68(58-56-66)94-88-63-70(93-84-53-27-25-49-80(84)81-50-26-28-54-85(81)93)62-87-89(88)91(83-52-30-51-79(90(83)94)67-33-11-2-12-34-67)82-60-59-78(96(74-42-19-6-20-43-74,75-44-21-7-22-45-75)76-46-23-8-24-47-76)64-86(82)92(87)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-16-phenyl-14-(4-phenylphenyl)-5-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?

[3-[11-carbazol-9-yl-16-phenyl-14-(4-phenylphenyl)-5-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 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-16-phenyl-14-(4-phenylphenyl)-5-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 168783815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).