5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C62H54N2Si2 — CID 162769011

About 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 162769011) has the molecular formula C62H54N2Si2 and a molecular weight of 883.30 g/mol. Its IUPAC name is 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• PubChem CID: 162769011
• Molecular Formula: C62H54N2Si2
• Molecular Weight: 883.30 g/mol
• Exact Mass: 882.38
• IUPAC Name: 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C62H54N2Si2/c1-61(2,3)43-34-37-52-50(40-43)51-41-44(62(4,5)6)35-38-53(51)63(52)45-36-39-55-59(42-45)66(48-26-15-9-16-27-48,49-28-17-10-18-29-49)58-33-21-32-57-60(58)64(55)54-30-19-20-31-56(54)65(57,46-22-11-7-12-23-46)47-24-13-8-14-25-47/h7-42H,1-6H3
• InChIKey: AAWOOXVJBDRCAD-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.30
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 162769011) is 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cccc3c1N2c1ccccc1[Si]3(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The InChIKey is AAWOOXVJBDRCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2Si2/c1-61(2,3)43-34-37-52-50(40-43)51-41-44(62(4,5)6)35-38-53(51)63(52)45-36-39-55-59(42-45)66(48-26-15-9-16-27-48,49-28-17-10-18-29-49)58-33-21-32-57-60(58)64(55)54-30-19-20-31-56(54)65(57,46-22-11-7-12-23-46)47-24-13-8-14-25-47/h7-42H,1-6H3.

What are the key properties of 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 883.30 g/mol, XLogP of 10.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,6-ditert-butylcarbazol-9-yl)-8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 162769011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).