[18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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

C55H39BF2N2Si — CID 162496921

About [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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 162496921) has the molecular formula C55H39BF2N2Si and a molecular weight of 804.83 g/mol. Its IUPAC name is [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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: 162496921
• Molecular Formula: C55H39BF2N2Si
• Molecular Weight: 804.83 g/mol
• Exact Mass: 804.29
• IUPAC Name: [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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(c1ccccc1-c1ccccc1)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc(F)ccc1N2c1ccc(F)cc1
• InChI: InChI=1S/C55H39BF2N2Si/c1-38-34-53-55-54(35-38)60(50-25-15-14-24-47(50)39-16-6-2-7-17-39)52-33-31-46(61(43-18-8-3-9-19-43,44-20-10-4-11-21-44)45-22-12-5-13-23-45)37-49(52)56(55)48-36-41(58)28-32-51(48)59(53)42-29-26-40(57)27-30-42/h2-37H,1H3
• InChIKey: WLYOWPFYKSAXGE-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.83
LogP ≤ 5	9.40
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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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 162496921) is [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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(c1ccccc1-c1ccccc1)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc(F)ccc1N2c1ccc(F)cc1.

What is the InChIKey of [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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 WLYOWPFYKSAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39BF2N2Si/c1-38-34-53-55-54(35-38)60(50-25-15-14-24-47(50)39-16-6-2-7-17-39)52-33-31-46(61(43-18-8-3-9-19-43,44-20-10-4-11-21-44)45-22-12-5-13-23-45)37-49(52)56(55)48-36-41(58)28-32-51(48)59(53)42-29-26-40(57)27-30-42/h2-37H,1H3.

What are the key properties of [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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 804.83 g/mol, XLogP of 9.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [18-fluoro-14-(4-fluorophenyl)-11-methyl-8-(2-phenylphenyl)-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 162496921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).