3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane

C204H127N13OSSi3 — CID 157059999

About 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane

3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane (PubChem CID 157059999) has the molecular formula C204H127N13OSSi3 and a molecular weight of 2892.67 g/mol. Its IUPAC name is 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane.

Molecular Properties

• Compound Name: 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane
• PubChem CID: 157059999
• Molecular Formula: C204H127N13OSSi3
• Molecular Weight: 2892.67 g/mol
• Exact Mass: 2889.93
• IUPAC Name: 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane
• SMILES: c1ccc([Si](c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c2ncncn2)cc1.c1ccc([Si](c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c2ncncn2)cc1.c1ccc([Si](c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c2ncncn2)cc1
• InChI: InChI=1S/C68H43N5Si.C68H42N4OSi.C68H42N4SSi/c1-2-17-45(18-3-1)74(68-71-42-69-43-72-68,47-34-37-57-61-29-16-38-70-67(61)60-28-11-10-22-51(60)50-21-6-9-25-54(50)64(57)41-47)46-33-36-56-55-35-32-44(73-65-30-14-12-26-58(65)59-27-13-15-31-66(59)73)39-62(55)52-23-7-4-19-48(52)49-20-5-8-24-53(49)63(56)40-46;2*1-2-16-44(17-3-1)74(68-71-41-69-42-72-68,46-33-36-57-60-29-15-37-70-66(60)59-26-11-10-21-51(59)50-20-6-9-24-54(50)64(57)40-46)45-32-35-56-55-34-31-43(47-27-14-28-61-58-25-12-13-30-65(58)73-67(47)61)38-62(55)52-22-7-4-18-48(52)49-19-5-8-23-53(49)63(56)39-45/h1-43H;2*1-42H/b49-48-,51-50-,56-55-,61-57-,62-52-,63-53-,64-54-,67-60+;2*49-48-,51-50-,56-55-,60-57-,62-52-,63-53-,64-54-,66-59+
• InChIKey: ABFJTRVCNSTLRE-IOHWIUEKSA-N
• XLogP: 42.52
• TPSA: 172.75 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2892.67
LogP ≤ 5	42.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane?

The IUPAC name of 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane (CID 157059999) is 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane.

What is the SMILES notation for 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane?

The canonical SMILES for 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane is c1ccc([Si](c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4oc4ccccc45)ccc2-3)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c2ncncn2)cc1.c1ccc([Si](c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-c4cccc5c4sc4ccccc45)ccc2-3)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c2ncncn2)cc1.c1ccc([Si](c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c2ncncn2)cc1.

What is the InChIKey of 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane?

The InChIKey is ABFJTRVCNSTLRE-IOHWIUEKSA-N. The full InChI is InChI=1S/C68H43N5Si.C68H42N4OSi.C68H42N4SSi/c1-2-17-45(18-3-1)74(68-71-42-69-43-72-68,47-34-37-57-61-29-16-38-70-67(61)60-28-11-10-22-51(60)50-21-6-9-25-54(50)64(57)41-47)46-33-36-56-55-35-32-44(73-65-30-14-12-26-58(65)59-27-13-15-31-66(59)73)39-62(55)52-23-7-4-19-48(52)49-20-5-8-24-53(49)63(56)40-46;2*1-2-16-44(17-3-1)74(68-71-41-69-42-72-68,46-33-36-57-60-29-15-37-70-66(60)59-26-11-10-21-51(59)50-20-6-9-24-54(50)64(57)40-46)45-32-35-56-55-34-31-43(47-27-14-28-61-58-25-12-13-30-65(58)73-67(47)61)38-62(55)52-22-7-4-18-48(52)49-19-5-8-23-53(49)63(56)39-45/h1-43H;2*1-42H/b49-48-,51-50-,56-55-,61-57-,62-52-,63-53-,64-54-,67-60+;2*49-48-,51-50-,56-55-,60-57-,62-52-,63-53-,64-54-,66-59+.

What are the key properties of 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane?

3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane has a molecular weight of 2892.67 g/mol, XLogP of 42.52, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-carbazol-9-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzofuran-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane;3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl-(7-dibenzothiophen-4-yltetraphenylen-2-yl)-phenyl-(1,3,5-triazin-2-yl)silane is sourced from PubChem (CID 157059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).