14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine

C87H65BN6Si2 — CID 168783485

About 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine

14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine (PubChem CID 168783485) has the molecular formula C87H65BN6Si2 and a molecular weight of 1261.50 g/mol. Its IUPAC name is 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine.

Molecular Properties

• Compound Name: 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine
• PubChem CID: 168783485
• Molecular Formula: C87H65BN6Si2
• Molecular Weight: 1261.50 g/mol
• Exact Mass: 1260.49
• IUPAC Name: 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine
• SMILES: c1ccc(C2=NC(c3ccccc3)NC(N3c4ccccc4B4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(N(c6ccccc6)c6ccccc6)cc3c54)=N2)cc1
• InChI: InChI=1S/C87H65BN6Si2/c1-11-34-64(35-12-1)85-89-86(65-36-13-2-14-37-65)91-87(90-85)94-80-57-32-31-56-78(80)88-79-59-58-77(96(73-49-25-8-26-50-73,74-51-27-9-28-52-74)75-53-29-10-30-54-75)63-81(79)93(82-61-69(62-83(94)84(82)88)92(66-38-15-3-16-39-66)67-40-17-4-18-41-67)68-42-33-55-76(60-68)95(70-43-19-5-20-44-70,71-45-21-6-22-46-71)72-47-23-7-24-48-72/h1-63,85H,(H,89,90,91)
• InChIKey: WICHVGYVQUGEGG-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 46.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.50
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine?

The IUPAC name of 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine (CID 168783485) is 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine.

What is the SMILES notation for 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine?

The canonical SMILES for 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine is c1ccc(C2=NC(c3ccccc3)NC(N3c4ccccc4B4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(N(c6ccccc6)c6ccccc6)cc3c54)=N2)cc1.

What is the InChIKey of 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine?

The InChIKey is WICHVGYVQUGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H65BN6Si2/c1-11-34-64(35-12-1)85-89-86(65-36-13-2-14-37-65)91-87(90-85)94-80-57-32-31-56-78(80)88-79-59-58-77(96(73-49-25-8-26-50-73,74-51-27-9-28-52-74)75-53-29-10-30-54-75)63-81(79)93(82-61-69(62-83(94)84(82)88)92(66-38-15-3-16-39-66)67-40-17-4-18-41-67)68-42-33-55-76(60-68)95(70-43-19-5-20-44-70,71-45-21-6-22-46-71)72-47-23-7-24-48-72/h1-63,85H,(H,89,90,91).

What are the key properties of 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine?

14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine has a molecular weight of 1261.50 g/mol, XLogP of 12.77, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N,N-diphenyl-5-triphenylsilyl-8-(3-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-amine is sourced from PubChem (CID 168783485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).