8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine

C80H92BN3 — CID 166497550

About 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine

8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine (PubChem CID 166497550) has the molecular formula C80H92BN3 and a molecular weight of 1106.45 g/mol. Its IUPAC name is 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine.

Molecular Properties

• Compound Name: 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine
• PubChem CID: 166497550
• Molecular Formula: C80H92BN3
• Molecular Weight: 1106.45 g/mol
• Exact Mass: 1105.74
• IUPAC Name: 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine
• SMILES: Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)c4c1C(C)(C)c1ccccc1-4)c1cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)CC3(C)C
• InChI: InChI=1S/C80H92BN3/c1-48-40-68-72-69(41-48)84(65-45-60-58(42-49(65)2)76(12,13)38-39-77(60,14)15)67-46-61-59(78(16,17)47-79(61,18)19)44-63(67)81(72)62-36-34-54(82(52-30-26-50(27-31-52)73(3,4)5)53-32-28-51(29-33-53)74(6,7)8)43-66(62)83(68)64-37-35-57(75(9,10)11)70-55-24-22-23-25-56(55)80(20,21)71(64)70/h22-37,40-46H,38-39,47H2,1-21H3
• InChIKey: BQAIQTJCKGRWTB-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.45
LogP ≤ 5	20.36
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 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

The IUPAC name of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine (CID 166497550) is 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine.

What is the SMILES notation for 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

The canonical SMILES for 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)c4c1C(C)(C)c1ccccc1-4)c1cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)CC3(C)C.

What is the InChIKey of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

The InChIKey is BQAIQTJCKGRWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H92BN3/c1-48-40-68-72-69(41-48)84(65-45-60-58(42-49(65)2)76(12,13)38-39-77(60,14)15)67-46-61-59(78(16,17)47-79(61,18)19)44-63(67)81(72)62-36-34-54(82(52-30-26-50(27-31-52)73(3,4)5)53-32-28-51(29-33-53)74(6,7)8)43-66(62)83(68)64-37-35-57(75(9,10)11)70-55-24-22-23-25-56(55)80(20,21)71(64)70/h22-37,40-46H,38-39,47H2,1-21H3.

What are the key properties of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine has a molecular weight of 1106.45 g/mol, XLogP of 20.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N,N-bis(4-tert-butylphenyl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine is sourced from PubChem (CID 166497550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).