bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane

C240H160B8N8Si4 — CID 158383893

About bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane

bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane (PubChem CID 158383893) has the molecular formula C240H160B8N8Si4 and a molecular weight of 3354.82 g/mol. Its IUPAC name is bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane.

Molecular Properties

• Compound Name: bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane
• PubChem CID: 158383893
• Molecular Formula: C240H160B8N8Si4
• Molecular Weight: 3354.82 g/mol
• Exact Mass: 3353.26
• IUPAC Name: bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccc3c(c2)B2c4ccccc4-c4ccccc4N2c2ccccc2-3)c2ccc3c(c2)B2c4ccccc4-c4ccccc4N2c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2B2c4ccccc4-c4ccccc4N2c2ccccc2-3)c2cccc3c2B2c4ccccc4-c4ccccc4N2c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c2N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
• InChI: InChI=1S/4C60H40B2N2Si/c1-3-21-41(22-4-1)65(42-23-5-2-6-24-42,57-39-19-31-49-45-27-9-15-35-53(45)61-51-33-13-7-25-43(51)47-29-11-17-37-55(47)63(61)59(49)57)58-40-20-32-50-46-28-10-16-36-54(46)62-52-34-14-8-26-44(52)48-30-12-18-38-56(48)64(62)60(50)58;1-3-21-41(22-4-1)65(42-23-5-2-6-24-42,57-39-19-31-49-47-29-11-17-37-55(47)63-53-35-15-9-27-45(53)43-25-7-13-33-51(43)61(63)59(49)57)58-40-20-32-50-48-30-12-18-38-56(48)64-54-36-16-10-28-46(54)44-26-8-14-34-52(44)62(64)60(50)58;1-3-19-41(20-4-1)65(42-21-5-2-6-22-42,43-35-37-47-51-27-11-17-33-59(51)63-57-31-15-9-25-49(57)45-23-7-13-29-53(45)61(63)55(47)39-43)44-36-38-48-52-28-12-18-34-60(52)64-58-32-16-10-26-50(58)46-24-8-14-30-54(46)62(64)56(48)40-44;1-3-19-41(20-4-1)65(42-21-5-2-6-22-42,43-35-37-51-47-25-9-15-31-55(47)61-53-29-13-7-23-45(53)49-27-11-17-33-57(49)63(61)59(51)39-43)44-36-38-52-48-26-10-16-32-56(48)62-54-30-14-8-24-46(54)50-28-12-18-34-58(50)64(62)60(52)40-44/h4*1-40H
• InChIKey: GWDCCEKPTIWYEW-UHFFFAOYSA-N
• XLogP: 35.49
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3354.82
LogP ≤ 5	35.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane?

The IUPAC name of bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane (CID 158383893) is bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane.

What is the SMILES notation for bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane?

The canonical SMILES for bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)B2c4ccccc4-c4ccccc4N2c2ccccc2-3)c2ccc3c(c2)B2c4ccccc4-c4ccccc4N2c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2ccc3c(c2)N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2B2c4ccccc4-c4ccccc4N2c2ccccc2-3)c2cccc3c2B2c4ccccc4-c4ccccc4N2c2ccccc2-3)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3c2N2B(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.

What is the InChIKey of bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane?

The InChIKey is GWDCCEKPTIWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C60H40B2N2Si/c1-3-21-41(22-4-1)65(42-23-5-2-6-24-42,57-39-19-31-49-45-27-9-15-35-53(45)61-51-33-13-7-25-43(51)47-29-11-17-37-55(47)63(61)59(49)57)58-40-20-32-50-46-28-10-16-36-54(46)62-52-34-14-8-26-44(52)48-30-12-18-38-56(48)64(62)60(50)58;1-3-21-41(22-4-1)65(42-23-5-2-6-24-42,57-39-19-31-49-47-29-11-17-37-55(47)63-53-35-15-9-27-45(53)43-25-7-13-33-51(43)61(63)59(49)57)58-40-20-32-50-48-30-12-18-38-56(48)64-54-36-16-10-28-46(54)44-26-8-14-34-52(44)62(64)60(50)58;1-3-19-41(20-4-1)65(42-21-5-2-6-22-42,43-35-37-47-51-27-11-17-33-59(51)63-57-31-15-9-25-49(57)45-23-7-13-29-53(45)61(63)55(47)39-43)44-36-38-48-52-28-12-18-34-60(52)64-58-32-16-10-26-50(58)46-24-8-14-30-54(46)62(64)56(48)40-44;1-3-19-41(20-4-1)65(42-21-5-2-6-22-42,43-35-37-51-47-25-9-15-31-55(47)61-53-29-13-7-23-45(53)49-27-11-17-33-57(49)63(61)59(51)39-43)44-36-38-52-48-26-10-16-32-56(48)62-54-30-14-8-24-46(54)50-28-12-18-34-58(50)64(62)60(52)40-44/h4*1-40H.

What are the key properties of bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane?

bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane has a molecular weight of 3354.82 g/mol, XLogP of 35.49, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-11-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-3-yl)-diphenylsilane;bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-4-yl)-diphenylsilane is sourced from PubChem (CID 158383893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).