[18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane

C65H69BN2Si — CID 162496834

About [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane

[18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane (PubChem CID 162496834) has the molecular formula C65H69BN2Si and a molecular weight of 917.18 g/mol. Its IUPAC name is [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane
• PubChem CID: 162496834
• Molecular Formula: C65H69BN2Si
• Molecular Weight: 917.18 g/mol
• Exact Mass: 916.53
• IUPAC Name: [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane
• SMILES: Cc1cc2c3c(c1)N(c1ccccc1C(C)(C)C)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc(C(C)(C)C)ccc1N2c1cc(C(C)(C)C)cc(C(C)(C)C)c1
• InChI: InChI=1S/C65H69BN2Si/c1-44-37-59-61-60(38-44)68(56-32-24-23-31-53(56)65(11,12)13)58-36-34-52(69(49-25-17-14-18-26-49,50-27-19-15-20-28-50)51-29-21-16-22-30-51)43-55(58)66(61)54-42-45(62(2,3)4)33-35-57(54)67(59)48-40-46(63(5,6)7)39-47(41-48)64(8,9)10/h14-43H,1-13H3
• InChIKey: YTXIOWSGEAZBJD-UHFFFAOYSA-N
• XLogP: 12.65
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.18
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

The IUPAC name of [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane (CID 162496834) is [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane.

What is the SMILES notation for [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

The canonical SMILES for [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane is Cc1cc2c3c(c1)N(c1ccccc1C(C)(C)C)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc(C(C)(C)C)ccc1N2c1cc(C(C)(C)C)cc(C(C)(C)C)c1.

What is the InChIKey of [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

The InChIKey is YTXIOWSGEAZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H69BN2Si/c1-44-37-59-61-60(38-44)68(56-32-24-23-31-53(56)65(11,12)13)58-36-34-52(69(49-25-17-14-18-26-49,50-27-19-15-20-28-50)51-29-21-16-22-30-51)43-55(58)66(61)54-42-45(62(2,3)4)33-35-57(54)67(59)48-40-46(63(5,6)7)39-47(41-48)64(8,9)10/h14-43H,1-13H3.

What are the key properties of [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

[18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane has a molecular weight of 917.18 g/mol, XLogP of 12.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [18-tert-butyl-8-(2-tert-butylphenyl)-14-(3,5-ditert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane is sourced from PubChem (CID 162496834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).