8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine

C74H86BN3Si — CID 167392035

About 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine

8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine (PubChem CID 167392035) has the molecular formula C74H86BN3Si and a molecular weight of 1056.42 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine.

Molecular Properties

• Compound Name: 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine
• PubChem CID: 167392035
• Molecular Formula: C74H86BN3Si
• Molecular Weight: 1056.42 g/mol
• Exact Mass: 1055.67
• IUPAC Name: 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine
• SMILES: Cc1cc(C(C)(C)C)ccc1N1c2ccc([Si](C)(C)C)cc2B2c3cc4c(cc3N(Cc3ccc(C(C)(C)C)cc3-c3ccccc3)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc1c32)CC(C)(C)C4
• InChI: InChI=1S/C74H86BN3Si/c1-48-38-55(72(8,9)10)30-36-64(48)78-65-37-35-60(79(16,17)18)44-63(65)75-62-39-51-45-74(14,15)46-52(51)40-66(62)76(47-50-24-25-56(73(11,12)13)41-61(50)49-22-20-19-21-23-49)67-42-59(43-68(78)69(67)75)77(57-31-26-53(27-32-57)70(2,3)4)58-33-28-54(29-34-58)71(5,6)7/h19-44H,45-47H2,1-18H3
• InChIKey: RXCUSVFKRURHJA-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.42
LogP ≤ 5	17.94
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-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

The IUPAC name of 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine (CID 167392035) is 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine.

What is the SMILES notation for 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

The canonical SMILES for 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine is Cc1cc(C(C)(C)C)ccc1N1c2ccc([Si](C)(C)C)cc2B2c3cc4c(cc3N(Cc3ccc(C(C)(C)C)cc3-c3ccccc3)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc1c32)CC(C)(C)C4.

What is the InChIKey of 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

The InChIKey is RXCUSVFKRURHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H86BN3Si/c1-48-38-55(72(8,9)10)30-36-64(48)78-65-37-35-60(79(16,17)18)44-63(65)75-62-39-51-45-74(14,15)46-52(51)40-66(62)76(47-50-24-25-56(73(11,12)13)41-61(50)49-22-20-19-21-23-49)67-42-59(43-68(78)69(67)75)77(57-31-26-53(27-32-57)70(2,3)4)58-33-28-54(29-34-58)71(5,6)7/h19-44H,45-47H2,1-18H3.

What are the key properties of 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine has a molecular weight of 1056.42 g/mol, XLogP of 17.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-2-methylphenyl)-N,N-bis(4-tert-butylphenyl)-14-[(4-tert-butyl-2-phenylphenyl)methyl]-19,19-dimethyl-4-trimethylsilyl-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine is sourced from PubChem (CID 167392035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).