[17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane

C106H81BN2Si2 — CID 174152588

About [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane

[17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 174152588) has the molecular formula C106H81BN2Si2 and a molecular weight of 1449.81 g/mol. Its IUPAC name is [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 174152588
• Molecular Formula: C106H81BN2Si2
• Molecular Weight: 1449.81 g/mol
• Exact Mass: 1448.60
• IUPAC Name: [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane
• SMILES: CC(C)(C)c1ccc2c(c1)N(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccc4)c3)cc3c1B2c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c4ccccc4)c2)ccc1N3c1ccc(-c2ccccc2)cc1-c1ccccc1
• InChI: InChI=1S/C106H81BN2Si2/c1-106(2,3)87-61-63-98-102(72-87)108(88-67-85(79-42-20-7-21-43-79)66-86(68-88)80-44-22-8-23-45-80)103-74-96(111(91-54-30-12-31-55-91,92-56-32-13-33-57-92)94-59-35-49-83(70-94)77-38-16-5-17-39-77)75-104-105(103)107(98)99-73-95(62-65-101(99)109(104)100-64-60-84(78-40-18-6-19-41-78)71-97(100)81-46-24-9-25-47-81)110(89-50-26-10-27-51-89,90-52-28-11-29-53-90)93-58-34-48-82(69-93)76-36-14-4-15-37-76/h4-75H,1-3H3
• InChIKey: FSHMQEKCKXCDGL-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1449.81
LogP ≤ 5	19.82
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 [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane (CID 174152588) is [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane is CC(C)(C)c1ccc2c(c1)N(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccc4)c3)cc3c1B2c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c4ccccc4)c2)ccc1N3c1ccc(-c2ccccc2)cc1-c1ccccc1.

What is the InChIKey of [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane?

The InChIKey is FSHMQEKCKXCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H81BN2Si2/c1-106(2,3)87-61-63-98-102(72-87)108(88-67-85(79-42-20-7-21-43-79)66-86(68-88)80-44-22-8-23-45-80)103-74-96(111(91-54-30-12-31-55-91,92-56-32-13-33-57-92)94-59-35-49-83(70-94)77-38-16-5-17-39-77)75-104-105(103)107(98)99-73-95(62-65-101(99)109(104)100-64-60-84(78-40-18-6-19-41-78)71-97(100)81-46-24-9-25-47-81)110(89-50-26-10-27-51-89,90-52-28-11-29-53-90)93-58-34-48-82(69-93)76-36-14-4-15-37-76/h4-75H,1-3H3.

What are the key properties of [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane?

[17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1449.81 g/mol, XLogP of 19.82, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [17-tert-butyl-8-(2,4-diphenylphenyl)-14-(3,5-diphenylphenyl)-4-[diphenyl-(3-phenylphenyl)silyl]-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-11-yl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 174152588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).