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-chloro-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

C100H72B2ClN5Si2 — CID 157242300

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-chloro-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;11-chloro-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 157242300) has the molecular formula C100H72B2ClN5Si2 and a molecular weight of 1456.96 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;11-chloro-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;11-chloro-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: 157242300
• Molecular Formula: C100H72B2ClN5Si2
• Molecular Weight: 1456.96 g/mol
• Exact Mass: 1455.52
• 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;11-chloro-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.Cc1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)cc4c1B3c1c(cc(Cl)cc1N4c1ccccc1)N2c1ccccc1
• InChI: InChI=1S/C56H40BN3Si.C44H32BClN2Si/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;1-29-23-36-43-40(25-29)49(34-19-11-5-12-20-34,35-21-13-6-14-22-35)41-26-30(2)24-37-44(41)45(43)42-38(47(36)32-15-7-3-8-16-32)27-31(46)28-39(42)48(37)33-17-9-4-10-18-33/h3-36H,1-2H3;3-28H,1-2H3
• InChIKey: AVIUMQSARMJOLJ-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 17.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1456.96
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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;11-chloro-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;11-chloro-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 157242300) 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;11-chloro-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;11-chloro-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;11-chloro-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.Cc1cc2c3c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)cc4c1B3c1c(cc(Cl)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;11-chloro-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 AVIUMQSARMJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40BN3Si.C44H32BClN2Si/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;1-29-23-36-43-40(25-29)49(34-19-11-5-12-20-34,35-21-13-6-14-22-35)41-26-30(2)24-37-44(41)45(43)42-38(47(36)32-15-7-3-8-16-32)27-31(46)28-39(42)48(37)33-17-9-4-10-18-33/h3-36H,1-2H3;3-28H,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-chloro-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;11-chloro-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 1456.96 g/mol, XLogP of 15.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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;11-chloro-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 157242300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).