[2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane

C60H40BNO2Si — CID 177103734

About [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane

[2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane (PubChem CID 177103734) has the molecular formula C60H40BNO2Si and a molecular weight of 845.88 g/mol. Its IUPAC name is [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane
• PubChem CID: 177103734
• Molecular Formula: C60H40BNO2Si
• Molecular Weight: 845.88 g/mol
• Exact Mass: 845.29
• IUPAC Name: [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2cc3c4c(c2)-c2ccccc2OB4c2ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc2O3)cc1
• InChI: InChI=1S/C60H40BNO2Si/c1-4-20-43(21-5-1)65(44-22-6-2-7-23-44,45-24-8-3-9-25-45)59-35-19-14-27-47(59)42-38-51-50-30-13-18-34-56(50)64-61-52-37-36-41(39-57(52)63-58(40-42)60(51)61)46-26-10-15-31-53(46)62-54-32-16-11-28-48(54)49-29-12-17-33-55(49)62/h1-40H
• InChIKey: WNIFSJJNTAPSOG-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.88
LogP ≤ 5	10.77
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 [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane?

The IUPAC name of [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane (CID 177103734) is [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane?

The canonical SMILES for [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2cc3c4c(c2)-c2ccccc2OB4c2ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc2O3)cc1.

What is the InChIKey of [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane?

The InChIKey is WNIFSJJNTAPSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40BNO2Si/c1-4-20-43(21-5-1)65(44-22-6-2-7-23-44,45-24-8-3-9-25-45)59-35-19-14-27-47(59)42-38-51-50-30-13-18-34-56(50)64-61-52-37-36-41(39-57(52)63-58(40-42)60(51)61)46-26-10-15-31-53(46)62-54-32-16-11-28-48(54)49-29-12-17-33-55(49)62/h1-40H.

What are the key properties of [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane?

[2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane has a molecular weight of 845.88 g/mol, XLogP of 10.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 177103734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).