[3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane

C54H36BNO2Si — CID 170925385

About [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane

[3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane (PubChem CID 170925385) has the molecular formula C54H36BNO2Si and a molecular weight of 769.79 g/mol. Its IUPAC name is [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane
• PubChem CID: 170925385
• Molecular Formula: C54H36BNO2Si
• Molecular Weight: 769.79 g/mol
• Exact Mass: 769.26
• IUPAC Name: [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3Oc3cc(-n5c6ccccc6c6ccccc65)cc5c3B4c3ccccc3O5)c2)cc1
• InChI: InChI=1S/C54H36BNO2Si/c1-4-19-39(20-5-1)59(40-21-6-2-7-22-40,41-23-8-3-9-24-41)42-25-16-18-37(34-42)43-28-17-30-47-54(43)58-52-36-38(35-51-53(52)55(47)46-29-12-15-33-50(46)57-51)56-48-31-13-10-26-44(48)45-27-11-14-32-49(45)56/h1-36H
• InChIKey: CERHAYMQXCBBKS-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.79
LogP ≤ 5	8.56
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-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane?

The IUPAC name of [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane (CID 170925385) is [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane.

What is the SMILES notation for [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane?

The canonical SMILES for [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3Oc3cc(-n5c6ccccc6c6ccccc65)cc5c3B4c3ccccc3O5)c2)cc1.

What is the InChIKey of [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane?

The InChIKey is CERHAYMQXCBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36BNO2Si/c1-4-19-39(20-5-1)59(40-21-6-2-7-22-40,41-23-8-3-9-24-41)42-25-16-18-37(34-42)43-28-17-30-47-54(43)58-52-36-38(35-51-53(52)55(47)46-29-12-15-33-50(46)57-51)56-48-31-13-10-26-44(48)45-27-11-14-32-49(45)56/h1-36H.

What are the key properties of [3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane?

[3-(11-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane has a molecular weight of 769.79 g/mol, XLogP of 8.56, 6 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-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 170925385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).