8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C93H73BN2 — CID 169282180

About 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 169282180) has the molecular formula C93H73BN2 and a molecular weight of 1229.43 g/mol. Its IUPAC name is 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 169282180
• Molecular Formula: C93H73BN2
• Molecular Weight: 1229.43 g/mol
• Exact Mass: 1228.59
• IUPAC Name: 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(N2c3ccc(-c4ccccc4)cc3B3c4cc(-c5ccccc5)ccc4N(c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc2c43)c(-c2ccccc2)c1
• InChI: InChI=1S/C93H73BN2/c1-91(2,3)71-56-76(64-36-18-9-19-37-64)89(77(57-71)65-38-20-10-21-39-65)95-84-52-50-68(62-32-14-7-15-33-62)54-82(84)94-83-55-69(63-34-16-8-17-35-63)51-53-85(83)96(90-78(66-40-22-11-23-41-66)58-72(92(4,5)6)59-79(90)67-42-24-12-25-43-67)87-61-73(60-86(95)88(87)94)93(70-44-26-13-27-45-70)80-48-30-28-46-74(80)75-47-29-31-49-81(75)93/h7-61H,1-6H3
• InChIKey: LZARRBYIHYCEJV-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.43
LogP ≤ 5	22.73
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 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 169282180) is 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc(-c2ccccc2)c(N2c3ccc(-c4ccccc4)cc3B3c4cc(-c5ccccc5)ccc4N(c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc2c43)c(-c2ccccc2)c1.

What is the InChIKey of 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is LZARRBYIHYCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H73BN2/c1-91(2,3)71-56-76(64-36-18-9-19-37-64)89(77(57-71)65-38-20-10-21-39-65)95-84-52-50-68(62-32-14-7-15-33-62)54-82(84)94-83-55-69(63-34-16-8-17-35-63)51-53-85(83)96(90-78(66-40-22-11-23-41-66)58-72(92(4,5)6)59-79(90)67-42-24-12-25-43-67)87-61-73(60-86(95)88(87)94)93(70-44-26-13-27-45-70)80-48-30-28-46-74(80)75-47-29-31-49-81(75)93/h7-61H,1-6H3.

What are the key properties of 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1229.43 g/mol, XLogP of 22.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 169282180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).