11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C80H83B2N — CID 164788145

About 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 164788145) has the molecular formula C80H83B2N and a molecular weight of 1080.17 g/mol. Its IUPAC name is 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 164788145
• Molecular Formula: C80H83B2N
• Molecular Weight: 1080.17 g/mol
• Exact Mass: 1079.67
• IUPAC Name: 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7c(c5)B(c5c(C)cc(C)cc5C)c5cccc8c9cccc(c9n-7c58)B6c5c(C)cc(C)cc5C)ccc3-4)cc21
• InChI: InChI=1S/C80H83B2N/c1-11-13-15-17-19-23-39-80(40-24-20-18-16-14-12-2)66-30-22-21-27-60(66)63-38-34-57(47-69(63)80)56-33-36-61-62-37-35-58(46-68(62)79(9,10)67(61)45-56)59-48-72-78-73(49-59)82(75-54(7)43-51(4)44-55(75)8)71-32-26-29-65-64-28-25-31-70(76(64)83(78)77(65)71)81(72)74-52(5)41-50(3)42-53(74)6/h21-22,25-38,41-49H,11-20,23-24,39-40H2,1-10H3
• InChIKey: CYONLVPZHIUNFG-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.17
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 164788145) is 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7c(c5)B(c5c(C)cc(C)cc5C)c5cccc8c9cccc(c9n-7c58)B6c5c(C)cc(C)cc5C)ccc3-4)cc21.

What is the InChIKey of 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is CYONLVPZHIUNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H83B2N/c1-11-13-15-17-19-23-39-80(40-24-20-18-16-14-12-2)66-30-22-21-27-60(66)63-38-34-57(47-69(63)80)56-33-36-61-62-37-35-58(46-68(62)79(9,10)67(61)45-56)59-48-72-78-73(49-59)82(75-54(7)43-51(4)44-55(75)8)71-32-26-29-65-64-28-25-31-70(76(64)83(78)77(65)71)81(72)74-52(5)41-50(3)42-53(74)6/h21-22,25-38,41-49H,11-20,23-24,39-40H2,1-10H3.

What are the key properties of 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1080.17 g/mol, XLogP of 17.70, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 164788145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).