N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine

C61H47BN4Si — CID 153156276

About N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine

N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine (PubChem CID 153156276) has the molecular formula C61H47BN4Si and a molecular weight of 874.97 g/mol. Its IUPAC name is N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine.

Molecular Properties

• Compound Name: N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine
• PubChem CID: 153156276
• Molecular Formula: C61H47BN4Si
• Molecular Weight: 874.97 g/mol
• Exact Mass: 874.37
• IUPAC Name: N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine
• SMILES: C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1cc3c4ccccc4n(-c4ccccc4)c3cc1N2c1ccccc1
• InChI: InChI=1S/C61H47BN4Si/c1-67(2,3)47-37-57-61-58(38-47)66(46-31-17-8-18-32-46)59-41-54(63(42-23-9-4-10-24-42)43-25-11-5-12-26-43)48-33-19-20-35-50(48)60(59)62(61)52-39-51-49-34-21-22-36-53(49)64(44-27-13-6-14-28-44)55(51)40-56(52)65(57)45-29-15-7-16-30-45/h4-41H,1-3H3
• InChIKey: WBLQJPSWTKNEEQ-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.97
LogP ≤ 5	14.03
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,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine?

The IUPAC name of N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine (CID 153156276) is N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine.

What is the SMILES notation for N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine?

The canonical SMILES for N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine is C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1B3c1cc3c4ccccc4n(-c4ccccc4)c3cc1N2c1ccccc1.

What is the InChIKey of N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine?

The InChIKey is WBLQJPSWTKNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47BN4Si/c1-67(2,3)47-37-57-61-58(38-47)66(46-31-17-8-18-32-46)59-41-54(63(42-23-9-4-10-24-42)43-25-11-5-12-26-43)48-33-19-20-35-50(48)60(59)62(61)52-39-51-49-34-21-22-36-53(49)64(44-27-13-6-14-28-44)55(51)40-56(52)65(57)45-29-15-7-16-30-45/h4-41H,1-3H3.

What are the key properties of N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine?

N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine has a molecular weight of 874.97 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,12,18,22-pentakis-phenyl-15-trimethylsilyl-12,18,22-triaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.023,28]dotriaconta-2(11),3,5,7,9,13,15,17(32),19,21(29),23,25,27,30-tetradecaen-9-amine is sourced from PubChem (CID 153156276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).