5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C51H40BN3Si — CID 159223830

About 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 159223830) has the molecular formula C51H40BN3Si and a molecular weight of 733.80 g/mol. Its IUPAC name is 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 159223830
• Molecular Formula: C51H40BN3Si
• Molecular Weight: 733.80 g/mol
• Exact Mass: 733.31
• IUPAC Name: 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: Cc1cc2c3c(c1)[Si](C)(c1ccccc1)c1cc(C)cc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)cc1N4c1ccccc1)N2c1ccccc1
• InChI: InChI=1S/C51H40BN3Si/c1-35-29-43-50-47(31-35)56(3,42-27-17-8-18-28-42)48-32-36(2)30-44-51(48)52(50)49-45(54(43)39-23-13-6-14-24-39)33-41(34-46(49)55(44)40-25-15-7-16-26-40)53(37-19-9-4-10-20-37)38-21-11-5-12-22-38/h4-34H,1-3H3
• InChIKey: GUOMLKJTXMZQNC-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.80
LogP ≤ 5	9.27
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 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 159223830) is 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is Cc1cc2c3c(c1)[Si](C)(c1ccccc1)c1cc(C)cc4c1B3c1c(cc(N(c3ccccc3)c3ccccc3)cc1N4c1ccccc1)N2c1ccccc1.

What is the InChIKey of 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is GUOMLKJTXMZQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40BN3Si/c1-35-29-43-50-47(31-35)56(3,42-27-17-8-18-28-42)48-32-36(2)30-44-51(48)52(50)49-45(54(43)39-23-13-6-14-24-39)33-41(34-46(49)55(44)40-25-15-7-16-26-40)53(37-19-9-4-10-20-37)38-21-11-5-12-22-38/h4-34H,1-3H3.

What are the key properties of 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 733.80 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17,22-trimethyl-N,N,8,14,22-pentakis-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 159223830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).