14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

C86H68N4Si2 — CID 162769054

About 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (PubChem CID 162769054) has the molecular formula C86H68N4Si2 and a molecular weight of 1213.69 g/mol. Its IUPAC name is 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
• PubChem CID: 162769054
• Molecular Formula: C86H68N4Si2
• Molecular Weight: 1213.69 g/mol
• Exact Mass: 1212.50
• IUPAC Name: 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1ccccc1)c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C86H68N4Si2/c1-85(2,3)57-44-48-75-69(52-57)70-53-58(86(4,5)6)45-49-76(70)88(75)60-46-50-77-71(55-60)68-36-18-21-39-74(68)89(77)61-47-51-79-83(56-61)91(62-27-10-7-11-28-62,63-29-12-8-13-30-63)81-42-25-43-82-84(81)90(79)78-40-22-23-41-80(78)92(82,64-31-14-9-15-32-64)65-33-24-26-59(54-65)87-72-37-19-16-34-66(72)67-35-17-20-38-73(67)87/h7-56H,1-6H3
• InChIKey: XCZCCIPCTUSAAW-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.69
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (CID 162769054) is 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1ccccc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The InChIKey is XCZCCIPCTUSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68N4Si2/c1-85(2,3)57-44-48-75-69(52-57)70-53-58(86(4,5)6)45-49-76(70)88(75)60-46-50-77-71(55-60)68-36-18-21-39-74(68)89(77)61-47-51-79-83(56-61)91(62-27-10-7-11-28-62,63-29-12-8-13-30-63)81-42-25-43-82-84(81)90(79)78-40-22-23-41-80(78)92(82,64-31-14-9-15-32-64)65-33-24-26-59(54-65)87-72-37-19-16-34-66(72)67-35-17-20-38-73(67)87/h7-56H,1-6H3.

What are the key properties of 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene has a molecular weight of 1213.69 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(3-carbazol-9-ylphenyl)-5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-8,8,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 162769054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).