11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine

C67H51BN4Si — CID 142466932

About 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine

11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine (PubChem CID 142466932) has the molecular formula C67H51BN4Si and a molecular weight of 951.07 g/mol. Its IUPAC name is 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine.

Molecular Properties

• Compound Name: 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
• PubChem CID: 142466932
• Molecular Formula: C67H51BN4Si
• Molecular Weight: 951.07 g/mol
• Exact Mass: 950.40
• IUPAC Name: 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
• SMILES: C[Si](c1ccccc1)(c1ccccc1)c1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)ccc1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1
• InChI: InChI=1S/C67H51BN4Si/c1-73(58-38-22-8-23-39-58,59-40-24-9-25-41-59)60-48-65-67-66(49-60)72(55-36-20-7-21-37-55)64-47-57(70(52-30-14-4-15-31-52)53-32-16-5-17-33-53)43-45-62(64)68(67)61-44-42-56(46-63(61)71(65)54-34-18-6-19-35-54)69(50-26-10-2-11-27-50)51-28-12-3-13-29-51/h2-49H,1H3
• InChIKey: CCXBHUQBGJKOTL-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.07
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The IUPAC name of 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine (CID 142466932) is 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine.

What is the SMILES notation for 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The canonical SMILES for 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine is C[Si](c1ccccc1)(c1ccccc1)c1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccccc4)ccc1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1.

What is the InChIKey of 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The InChIKey is CCXBHUQBGJKOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51BN4Si/c1-73(58-38-22-8-23-39-58,59-40-24-9-25-41-59)60-48-65-67-66(49-60)72(55-36-20-7-21-37-55)64-47-57(70(52-30-14-4-15-31-52)53-32-16-5-17-33-53)43-45-62(64)68(67)61-44-42-56(46-63(61)71(65)54-34-18-6-19-35-54)69(50-26-10-2-11-27-50)51-28-12-3-13-29-51/h2-49H,1H3.

What are the key properties of 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine has a molecular weight of 951.07 g/mol, XLogP of 13.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[methyl(diphenyl)silyl]-5-N,5-N,17-N,17-N,8,14-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine is sourced from PubChem (CID 142466932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).