N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine

C75H79BGeN4 — CID 176639473

About N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine

N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine (PubChem CID 176639473) has the molecular formula C75H79BGeN4 and a molecular weight of 1119.91 g/mol. Its IUPAC name is N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine.

Molecular Properties

• Compound Name: N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine
• PubChem CID: 176639473
• Molecular Formula: C75H79BGeN4
• Molecular Weight: 1119.91 g/mol
• Exact Mass: 1120.56
• IUPAC Name: N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cccc4c2B3c2c(c3cc([Ge](C)(C)C)ccc3n2-c2ccccc2)N4c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C75H79BGeN4/c1-72(2,3)51-29-37-57(38-30-51)78(58-39-31-52(32-40-58)73(4,5)6)60-43-44-63-68(49-60)81(64-45-35-54(75(10,11)12)47-61(64)50-23-18-16-19-24-50)67-28-22-27-66-69(67)76(63)71-70(79(66)59-41-33-53(34-42-59)74(7,8)9)62-48-55(77(13,14)15)36-46-65(62)80(71)56-25-20-17-21-26-56/h16-49H,1-15H3
• InChIKey: QHNJWLMOKOOJBR-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.91
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine?

The IUPAC name of N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine (CID 176639473) is N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine.

What is the SMILES notation for N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine?

The canonical SMILES for N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2cccc4c2B3c2c(c3cc([Ge](C)(C)C)ccc3n2-c2ccccc2)N4c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine?

The InChIKey is QHNJWLMOKOOJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H79BGeN4/c1-72(2,3)51-29-37-57(38-30-51)78(58-39-31-52(32-40-58)73(4,5)6)60-43-44-63-68(49-60)81(64-45-35-54(75(10,11)12)47-61(64)50-23-18-16-19-24-50)67-28-22-27-66-69(67)76(63)71-70(79(66)59-41-33-53(34-42-59)74(7,8)9)62-48-55(77(13,14)15)36-46-65(62)80(71)56-25-20-17-21-26-56/h16-49H,1-15H3.

What are the key properties of N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine?

N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine has a molecular weight of 1119.91 g/mol, XLogP of 18.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,14-tris(4-tert-butylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-22-phenyl-18-trimethylgermyl-8,14,22-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaen-5-amine is sourced from PubChem (CID 176639473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).