8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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

C68H68BN3 — CID 167393458

About 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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 167393458) has the molecular formula C68H68BN3 and a molecular weight of 938.13 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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: 167393458
• Molecular Formula: C68H68BN3
• Molecular Weight: 938.13 g/mol
• Exact Mass: 937.55
• IUPAC Name: 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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(c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2)C(C)(C)CC4(C)C
• InChI: InChI=1S/C68H68BN3/c1-42-33-61-63-62(34-42)72(58-39-54-52(35-43(58)2)64(3,4)31-32-65(54,5)6)60-40-55-53(66(7,8)41-67(55,9)10)38-57(60)69(63)56-30-28-47(70(44-21-15-13-16-22-44)45-23-17-14-18-24-45)37-59(56)71(61)46-27-29-49-48-25-19-20-26-50(48)68(11,12)51(49)36-46/h13-30,33-40H,31-32,41H2,1-12H3
• InChIKey: CVDRATPKMRIZEV-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.13
LogP ≤ 5	16.47
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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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 167393458) is 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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(c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccc2c(c1)C(C)(C)c1ccccc1-2)C(C)(C)CC4(C)C.

What is the InChIKey of 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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 CVDRATPKMRIZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H68BN3/c1-42-33-61-63-62(34-42)72(58-39-54-52(35-43(58)2)64(3,4)31-32-65(54,5)6)60-40-55-53(66(7,8)41-67(55,9)10)38-57(60)69(63)56-30-28-47(70(44-21-15-13-16-22-44)45-23-17-14-18-24-45)37-59(56)71(61)46-27-29-49-48-25-19-20-26-50(48)68(11,12)51(49)36-46/h13-30,33-40H,31-32,41H2,1-12H3.

What are the key properties of 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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 938.13 g/mol, XLogP of 16.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(9,9-dimethylfluoren-2-yl)-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N,N-diphenyl-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 167393458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).