5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C84H55BN4Si — CID 174134889

About 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 174134889) has the molecular formula C84H55BN4Si and a molecular weight of 1159.29 g/mol. Its IUPAC name is 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• PubChem CID: 174134889
• Molecular Formula: C84H55BN4Si
• Molecular Weight: 1159.29 g/mol
• Exact Mass: 1158.43
• IUPAC Name: 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc(-n4c5ccccc5c5ccccc54)ccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4[Si](c4ccccc4)(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc1
• InChI: InChI=1S/C84H55BN4Si/c1-5-26-56(27-6-1)63-40-25-41-64(57-28-7-2-8-29-57)84(63)89-79-52-58(86-73-42-19-13-34-65(73)66-35-14-20-43-74(66)86)48-50-71(79)85-72-51-49-59(87-75-44-21-15-36-67(75)68-37-16-22-45-76(68)87)54-81(72)90(61-30-9-3-10-31-61,62-32-11-4-12-33-62)82-55-60(53-80(89)83(82)85)88-77-46-23-17-38-69(77)70-39-18-24-47-78(70)88/h1-55H
• InChIKey: PIRLHWRKMNROSB-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.29
LogP ≤ 5	16.30
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 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 174134889) is 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc(-n4c5ccccc5c5ccccc54)ccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4[Si](c4ccccc4)(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc1.

What is the InChIKey of 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The InChIKey is PIRLHWRKMNROSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H55BN4Si/c1-5-26-56(27-6-1)63-40-25-41-64(57-28-7-2-8-29-57)84(63)89-79-52-58(86-73-42-19-13-34-65(73)66-35-14-20-43-74(66)86)48-50-71(79)85-72-51-49-59(87-75-44-21-15-36-67(75)68-37-16-22-45-76(68)87)54-81(72)90(61-30-9-3-10-31-61,62-32-11-4-12-33-62)82-55-60(53-80(89)83(82)85)88-77-46-23-17-38-69(77)70-39-18-24-47-78(70)88/h1-55H.

What are the key properties of 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 1159.29 g/mol, XLogP of 16.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17-tri(carbazol-9-yl)-8-(2,6-diphenylphenyl)-14,14-diphenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 174134889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).