11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene

C70H80BN3 — CID 167407335

About 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene

11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene (PubChem CID 167407335) has the molecular formula C70H80BN3 and a molecular weight of 974.24 g/mol. Its IUPAC name is 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene.

Molecular Properties

• Compound Name: 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene
• PubChem CID: 167407335
• Molecular Formula: C70H80BN3
• Molecular Weight: 974.24 g/mol
• Exact Mass: 973.64
• IUPAC Name: 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene
• SMILES: CC1(C)Cc2cc3c(cc2C1)N(c1ccc(C(C)(C)C)cc1-c1ccccc1)c1cc(N2c4ccccc4C(C)(C)C4(C)CCCCC24C)cc2c1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C70H80BN3/c1-64(2,3)48-27-31-51(32-28-48)72-59-34-30-50(66(7,8)9)40-56(59)71-55-37-46-43-67(10,11)44-47(46)38-60(55)73(57-33-29-49(65(4,5)6)39-53(57)45-23-17-16-18-24-45)62-42-52(41-61(72)63(62)71)74-58-26-20-19-25-54(58)68(12,13)69(14)35-21-22-36-70(69,74)15/h16-20,23-34,37-42H,21-22,35-36,43-44H2,1-15H3
• InChIKey: PHEWRPDRUQHNEE-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.24
LogP ≤ 5	17.22
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 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene?

The IUPAC name of 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene (CID 167407335) is 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene.

What is the SMILES notation for 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene?

The canonical SMILES for 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene is CC1(C)Cc2cc3c(cc2C1)N(c1ccc(C(C)(C)C)cc1-c1ccccc1)c1cc(N2c4ccccc4C(C)(C)C4(C)CCCCC24C)cc2c1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene?

The InChIKey is PHEWRPDRUQHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H80BN3/c1-64(2,3)48-27-31-51(32-28-48)72-59-34-30-50(66(7,8)9)40-56(59)71-55-37-46-43-67(10,11)44-47(46)38-60(55)73(57-33-29-49(65(4,5)6)39-53(57)45-23-17-16-18-24-45)62-42-52(41-61(72)63(62)71)74-58-26-20-19-25-54(58)68(12,13)69(14)35-21-22-36-70(69,74)15/h16-20,23-34,37-42H,21-22,35-36,43-44H2,1-15H3.

What are the key properties of 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene?

11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene has a molecular weight of 974.24 g/mol, XLogP of 17.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4a,9,9,9a-tetramethyl-1,2,3,4-tetrahydroacridin-10-yl)-4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-19,19-dimethyl-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-nonaene is sourced from PubChem (CID 167407335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).