[3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane

C78H56BN3Si2 — CID 168783529

About [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane

[3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane (PubChem CID 168783529) has the molecular formula C78H56BN3Si2 and a molecular weight of 1102.31 g/mol. Its IUPAC name is [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane
• PubChem CID: 168783529
• Molecular Formula: C78H56BN3Si2
• Molecular Weight: 1102.31 g/mol
• Exact Mass: 1101.41
• IUPAC Name: [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccccc4B4c5ccccc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1
• InChI: InChI=1S/C78H56BN3Si2/c1-7-29-60(30-8-1)83(61-31-9-2-10-32-61,62-33-11-3-12-34-62)66-52-50-57(51-53-66)80-74-48-25-21-44-70(74)79-71-45-22-26-49-75(71)81(77-56-59(55-76(80)78(77)79)82-72-46-23-19-42-68(72)69-43-20-24-47-73(69)82)58-28-27-41-67(54-58)84(63-35-13-4-14-36-63,64-37-15-5-16-38-64)65-39-17-6-18-40-65/h1-56H
• InChIKey: FOVATDKTTWJSQV-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.31
LogP ≤ 5	11.62
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-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane (CID 168783529) is [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccccc4B4c5ccccc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1.

What is the InChIKey of [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane?

The InChIKey is FOVATDKTTWJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56BN3Si2/c1-7-29-60(30-8-1)83(61-31-9-2-10-32-61,62-33-11-3-12-34-62)66-52-50-57(51-53-66)80-74-48-25-21-44-70(74)79-71-45-22-26-49-75(71)81(77-56-59(55-76(80)78(77)79)82-72-46-23-19-42-68(72)69-43-20-24-47-73(69)82)58-28-27-41-67(54-58)84(63-35-13-4-14-36-63,64-37-15-5-16-38-64)65-39-17-6-18-40-65/h1-56H.

What are the key properties of [3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane?

[3-[11-carbazol-9-yl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane has a molecular weight of 1102.31 g/mol, XLogP of 11.62, 11 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-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168783529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).