11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C56H40BN3Si — CID 157242302

About 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 157242302) has the molecular formula C56H40BN3Si and a molecular weight of 793.86 g/mol. Its IUPAC name is 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 157242302
• Molecular Formula: C56H40BN3Si
• Molecular Weight: 793.86 g/mol
• Exact Mass: 793.31
• IUPAC Name: 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: Cc1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)cc4c1B3c1c(cc(-n3c5ccccc5c5ccccc53)cc1N4c1ccccc1)N2c1ccccc1
• InChI: InChI=1S/C56H40BN3Si/c1-37-31-48-55-52(33-37)61(42-23-11-5-12-24-42,43-25-13-6-14-26-43)53-34-38(2)32-49-56(53)57(55)54-50(58(48)39-19-7-3-8-20-39)35-41(36-51(54)59(49)40-21-9-4-10-22-40)60-46-29-17-15-27-44(46)45-28-16-18-30-47(45)60/h3-36H,1-2H3
• InChIKey: UHAHJZLPMWADPU-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.86
LogP ≤ 5	9.17
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 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 157242302) is 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)cc4c1B3c1c(cc(-n3c5ccccc5c5ccccc53)cc1N4c1ccccc1)N2c1ccccc1.

What is the InChIKey of 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is UHAHJZLPMWADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40BN3Si/c1-37-31-48-55-52(33-37)61(42-23-11-5-12-24-42,43-25-13-6-14-26-43)53-34-38(2)32-49-56(53)57(55)54-50(58(48)39-19-7-3-8-20-39)35-41(36-51(54)59(49)40-21-9-4-10-22-40)60-46-29-17-15-27-44(46)45-28-16-18-30-47(45)60/h3-36H,1-2H3.

What are the key properties of 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 793.86 g/mol, XLogP of 9.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-5,17-dimethyl-8,14,22,22-tetraphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 157242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).