8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C66H45N3Si2 — CID 162768964

About 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 162768964) has the molecular formula C66H45N3Si2 and a molecular weight of 936.28 g/mol. Its IUPAC name is 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 162768964
• Molecular Formula: C66H45N3Si2
• Molecular Weight: 936.28 g/mol
• Exact Mass: 935.32
• IUPAC Name: 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3N3c4ccccc4[Si](c4cccc(-n5c6ccccc6c6ccccc65)c4)(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc2c43)cc1
• InChI: InChI=1S/C66H45N3Si2/c1-3-24-48(25-4-1)70(49-26-5-2-6-27-49)62-40-17-15-38-60(62)69-61-39-16-18-41-63(61)71(65-43-21-42-64(70)66(65)69,50-28-19-22-46(44-50)67-56-34-11-7-30-52(56)53-31-8-12-35-57(53)67)51-29-20-23-47(45-51)68-58-36-13-9-32-54(58)55-33-10-14-37-59(55)68/h1-45H
• InChIKey: VQESRNKZNDJTOA-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.28
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 162768964) is 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc([Si]2(c3ccccc3)c3ccccc3N3c4ccccc4[Si](c4cccc(-n5c6ccccc6c6ccccc65)c4)(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc2c43)cc1.

What is the InChIKey of 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is VQESRNKZNDJTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si2/c1-3-24-48(25-4-1)70(49-26-5-2-6-27-49)62-40-17-15-38-60(62)69-61-39-16-18-41-63(61)71(65-43-21-42-64(70)66(65)69,50-28-19-22-46(44-50)67-56-34-11-7-30-52(56)53-31-8-12-35-57(53)67)51-29-20-23-47(45-51)68-58-36-13-9-32-54(58)55-33-10-14-37-59(55)68/h1-45H.

What are the key properties of 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 936.28 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-bis(3-carbazol-9-ylphenyl)-14,14-diphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 162768964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).