[3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane

C84H60BN3Si2 — CID 168783903

About [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane

[3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane (PubChem CID 168783903) has the molecular formula C84H60BN3Si2 and a molecular weight of 1178.41 g/mol. Its IUPAC name is [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
• PubChem CID: 168783903
• Molecular Formula: C84H60BN3Si2
• Molecular Weight: 1178.41 g/mol
• Exact Mass: 1177.44
• IUPAC Name: [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc3c(c2)N(c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccccc2N4c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C84H60BN3Si2/c1-8-29-61(30-9-1)62-51-56-77-81(57-62)86(63-52-54-72(55-53-63)89(66-32-10-2-11-33-66,67-34-12-3-13-35-67)68-36-14-4-15-37-68)82-59-65(88-78-48-25-22-45-74(78)75-46-23-26-49-79(75)88)60-83-84(82)85(77)76-47-24-27-50-80(76)87(83)64-31-28-44-73(58-64)90(69-38-16-5-17-39-69,70-40-18-6-19-41-70)71-42-20-7-21-43-71/h1-60H
• InChIKey: YVBRKKHSJARMRR-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1178.41
LogP ≤ 5	13.29
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-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane (CID 168783903) is [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc3c(c2)N(c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccccc2N4c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

The InChIKey is YVBRKKHSJARMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60BN3Si2/c1-8-29-61(30-9-1)62-51-56-77-81(57-62)86(63-52-54-72(55-53-63)89(66-32-10-2-11-33-66,67-34-12-3-13-35-67)68-36-14-4-15-37-68)82-59-65(88-78-48-25-22-45-74(78)75-46-23-26-49-79(75)88)60-83-84(82)85(77)76-47-24-27-50-80(76)87(83)64-31-28-44-73(58-64)90(69-38-16-5-17-39-69,70-40-18-6-19-41-70)71-42-20-7-21-43-71/h1-60H.

What are the key properties of [3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane?

[3-[11-carbazol-9-yl-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane has a molecular weight of 1178.41 g/mol, XLogP of 13.29, 12 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-17-phenyl-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(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168783903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).