[3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene

C181H129N11Si2 — CID 157059372

About [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene

[3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene (PubChem CID 157059372) has the molecular formula C181H129N11Si2 and a molecular weight of 2514.27 g/mol. Its IUPAC name is [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
• PubChem CID: 157059372
• Molecular Formula: C181H129N11Si2
• Molecular Weight: 2514.27 g/mol
• Exact Mass: 2512.00
• IUPAC Name: [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
• SMILES: c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)n2)cc1
• InChI: InChI=1S/C55H40N2Si.C54H39N3Si.C37H26N2.C35H24N4/c1-5-19-40(20-6-1)52-36-43(57-54-31-16-15-30-49(54)51-35-41-33-32-39-18-13-14-29-48(39)50(41)38-55(51)57)37-53(56-52)42-21-17-28-47(34-42)58(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46;1-5-19-39(20-6-1)50-37-51(41-21-17-28-45(34-41)58(42-22-7-2-8-23-42,43-24-9-3-10-25-43)44-26-11-4-12-27-44)56-54(55-50)57-52-31-16-15-30-47(52)49-35-40-33-32-38-18-13-14-29-46(38)48(40)36-53(49)57;1-3-12-26(13-4-1)34-22-29(23-35(38-34)27-14-5-2-6-15-27)39-36-18-10-9-17-31(36)33-21-28-20-19-25-11-7-8-16-30(25)32(28)24-37(33)39;1-3-12-24(13-4-1)33-36-34(25-14-5-2-6-15-25)38-35(37-33)39-31-18-10-9-17-28(31)30-21-26-20-19-23-11-7-8-16-27(23)29(26)22-32(30)39/h1-31,34-38H,32-33H2;1-31,34-37H,32-33H2;1-18,21-24H,19-20H2;1-18,21-22H,19-20H2
• InChIKey: ABDKAVRATMQIDI-UHFFFAOYSA-N
• XLogP: 38.05
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2514.27
LogP ≤ 5	38.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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 [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?

The IUPAC name of [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene (CID 157059372) is [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene.

What is the SMILES notation for [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?

The canonical SMILES for [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene is c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3CC5)n2)cc1.

What is the InChIKey of [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?

The InChIKey is ABDKAVRATMQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2Si.C54H39N3Si.C37H26N2.C35H24N4/c1-5-19-40(20-6-1)52-36-43(57-54-31-16-15-30-49(54)51-35-41-33-32-39-18-13-14-29-48(39)50(41)38-55(51)57)37-53(56-52)42-21-17-28-47(34-42)58(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46;1-5-19-39(20-6-1)50-37-51(41-21-17-28-45(34-41)58(42-22-7-2-8-23-42,43-24-9-3-10-25-43)44-26-11-4-12-27-44)56-54(55-50)57-52-31-16-15-30-47(52)49-35-40-33-32-38-18-13-14-29-46(38)48(40)36-53(49)57;1-3-12-26(13-4-1)34-22-29(23-35(38-34)27-14-5-2-6-15-27)39-36-18-10-9-17-31(36)33-21-28-20-19-25-11-7-8-16-30(25)32(28)24-37(33)39;1-3-12-24(13-4-1)33-36-34(25-14-5-2-6-15-25)38-35(37-33)39-31-18-10-9-17-28(31)30-21-26-20-19-23-11-7-8-16-27(23)29(26)22-32(30)39/h1-31,34-38H,32-33H2;1-31,34-37H,32-33H2;1-18,21-24H,19-20H2;1-18,21-22H,19-20H2.

What are the key properties of [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene?

[3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene has a molecular weight of 2514.27 g/mol, XLogP of 38.05, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenyl-2-pyridinyl]phenyl]-triphenylsilane;[3-[2-(10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaen-10-yl)-6-phenylpyrimidin-4-yl]phenyl]-triphenylsilane;10-(2,6-diphenyl-4-pyridinyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene is sourced from PubChem (CID 157059372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).