[4-(11-carbazol-9-yl-4,14-diphenyl-18-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

C84H60BN3Si2 — CID 168784162

About [4-(11-carbazol-9-yl-4,14-diphenyl-18-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-(11-carbazol-9-yl-4,14-diphenyl-18-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 168784162) has the molecular formula C84H60BN3Si2 and a molecular weight of 1178.41 g/mol. Its IUPAC name is [4-(11-carbazol-9-yl-4,14-diphenyl-18-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-(11-carbazol-9-yl-4,14-diphenyl-18-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: 168784162
• Molecular Formula: C84H60BN3Si2
• Molecular Weight: 1178.41 g/mol
• Exact Mass: 1177.44
• IUPAC Name: [4-(11-carbazol-9-yl-4,14-diphenyl-18-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(-c2ccc3c(c2)B2c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C84H60BN3Si2/c1-9-29-61(30-10-1)62-49-55-80-76(57-62)85-77-60-73(90(69-39-19-6-20-40-69,70-41-21-7-22-42-70)71-43-23-8-24-44-71)54-56-81(77)86(63-31-11-2-12-32-63)82-58-65(88-78-47-27-25-45-74(78)75-46-26-28-48-79(75)88)59-83(84(82)85)87(80)64-50-52-72(53-51-64)89(66-33-13-3-14-34-66,67-35-15-4-16-36-67)68-37-17-5-18-38-68/h1-60H
• InChIKey: XEKJJUMXMQTING-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 [4-(11-carbazol-9-yl-4,14-diphenyl-18-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-(11-carbazol-9-yl-4,14-diphenyl-18-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 168784162) is [4-(11-carbazol-9-yl-4,14-diphenyl-18-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-(11-carbazol-9-yl-4,14-diphenyl-18-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-(11-carbazol-9-yl-4,14-diphenyl-18-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(-c2ccc3c(c2)B2c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.

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

What are the key properties of [4-(11-carbazol-9-yl-4,14-diphenyl-18-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-(11-carbazol-9-yl-4,14-diphenyl-18-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 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 [4-(11-carbazol-9-yl-4,14-diphenyl-18-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 168784162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).