[18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane

C58H55BN2Si — CID 162496842

About [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane

[18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane (PubChem CID 162496842) has the molecular formula C58H55BN2Si and a molecular weight of 818.99 g/mol. Its IUPAC name is [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane
• PubChem CID: 162496842
• Molecular Formula: C58H55BN2Si
• Molecular Weight: 818.99 g/mol
• Exact Mass: 818.42
• IUPAC Name: [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane
• SMILES: Cc1cc2c3c(c1)N(c1ccccc1C)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C58H55BN2Si/c1-40-36-54-56-55(37-40)61(51-27-19-18-20-41(51)2)53-35-33-48(62(45-21-12-9-13-22-45,46-23-14-10-15-24-46)47-25-16-11-17-26-47)39-50(53)59(56)49-38-43(58(6,7)8)30-34-52(49)60(54)44-31-28-42(29-32-44)57(3,4)5/h9-39H,1-8H3
• InChIKey: SAIYOVHZPJAPKH-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.99
LogP ≤ 5	10.36
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-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane?

The IUPAC name of [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane (CID 162496842) is [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane.

What is the SMILES notation for [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane?

The canonical SMILES for [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane is Cc1cc2c3c(c1)N(c1ccccc1C)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane?

The InChIKey is SAIYOVHZPJAPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55BN2Si/c1-40-36-54-56-55(37-40)61(51-27-19-18-20-41(51)2)53-35-33-48(62(45-21-12-9-13-22-45,46-23-14-10-15-24-46)47-25-16-11-17-26-47)39-50(53)59(56)49-38-43(58(6,7)8)30-34-52(49)60(54)44-31-28-42(29-32-44)57(3,4)5/h9-39H,1-8H3.

What are the key properties of [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane?

[18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane has a molecular weight of 818.99 g/mol, XLogP of 10.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [18-tert-butyl-14-(4-tert-butylphenyl)-11-methyl-8-(2-methylphenyl)-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-nonaen-4-yl]-triphenylsilane is sourced from PubChem (CID 162496842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).