17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C56H47N5OSi — CID 140937620

About 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 140937620) has the molecular formula C56H47N5OSi and a molecular weight of 834.11 g/mol. Its IUPAC name is 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
• PubChem CID: 140937620
• Molecular Formula: C56H47N5OSi
• Molecular Weight: 834.11 g/mol
• Exact Mass: 833.35
• IUPAC Name: 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
• SMILES: CC(C)(C)c1cc2c(cc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)cc3c1Oc1ccccc1[Si](C)(C)C3(C)C)-c1ccccc1-c1ncncc1-c1ccccc1-2
• InChI: InChI=1S/C56H47N5OSi/c1-55(2,3)44-31-40-35-18-8-9-19-36(35)43-32-57-33-58-52(43)38-21-11-10-20-37(38)39(40)30-41(44)42-28-34(29-45-53(42)62-50-26-16-17-27-51(50)63(6,7)56(45,4)5)60-48-24-14-15-25-49(48)61-47-23-13-12-22-46(47)59-54(60)61/h8-33H,1-7H3/b39-37-,40-35-,43-36-,52-38+
• InChIKey: ORJIHKUXVSSCLQ-OLWVXDSQSA-N
• XLogP: 13.71
• TPSA: 57.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.11
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The IUPAC name of 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 140937620) is 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

What is the SMILES notation for 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The canonical SMILES for 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is CC(C)(C)c1cc2c(cc1-c1cc(-n3c4ccccc4n4c5ccccc5nc34)cc3c1Oc1ccccc1[Si](C)(C)C3(C)C)-c1ccccc1-c1ncncc1-c1ccccc1-2.

What is the InChIKey of 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The InChIKey is ORJIHKUXVSSCLQ-OLWVXDSQSA-N. The full InChI is InChI=1S/C56H47N5OSi/c1-55(2,3)44-31-40-35-18-8-9-19-36(35)43-32-57-33-58-52(43)38-21-11-10-20-37(38)39(40)30-41(44)42-28-34(29-45-53(42)62-50-26-16-17-27-51(50)63(6,7)56(45,4)5)60-48-24-14-15-25-49(48)61-47-23-13-12-22-46(47)59-54(60)61/h8-33H,1-7H3/b39-37-,40-35-,43-36-,52-38+.

What are the key properties of 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 834.11 g/mol, XLogP of 13.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5,5,6,6-tetramethylbenzo[b][1,4]benzoxasilepin-10-yl]-16-tert-butyl-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 140937620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).