5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

C54H42N2O2Si2 — CID 59182582

About 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (PubChem CID 59182582) has the molecular formula C54H42N2O2Si2 and a molecular weight of 807.11 g/mol. Its IUPAC name is 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

Molecular Properties

• Compound Name: 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
• PubChem CID: 59182582
• Molecular Formula: C54H42N2O2Si2
• Molecular Weight: 807.11 g/mol
• Exact Mass: 806.28
• IUPAC Name: 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
• SMILES: c1ccc2c(c1)N(c1ccc3c(c1)Oc1cccc4c1c-3cc1oc3cc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)ccc3c14)c1ccccc1[Si]21CCCC1
• InChI: InChI=1S/C54H42N2O2Si2/c1-5-20-49-41(15-1)55(42-16-2-6-21-50(42)59(49)28-9-10-29-59)35-24-26-37-40-34-48-53(39-14-13-19-45(54(39)40)57-46(37)32-35)38-27-25-36(33-47(38)58-48)56-43-17-3-7-22-51(43)60(30-11-12-31-60)52-23-8-4-18-44(52)56/h1-8,13-27,32-34H,9-12,28-31H2
• InChIKey: NJRJPCPFXGUGGG-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.11
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The IUPAC name of 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (CID 59182582) is 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

What is the SMILES notation for 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The canonical SMILES for 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is c1ccc2c(c1)N(c1ccc3c(c1)Oc1cccc4c1c-3cc1oc3cc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)ccc3c14)c1ccccc1[Si]21CCCC1.

What is the InChIKey of 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The InChIKey is NJRJPCPFXGUGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2O2Si2/c1-5-20-49-41(15-1)55(42-16-2-6-21-50(42)59(49)28-9-10-29-59)35-24-26-37-40-34-48-53(39-14-13-19-45(54(39)40)57-46(37)32-35)38-27-25-36(33-47(38)58-48)56-43-17-3-7-22-51(43)60(30-11-12-31-60)52-23-8-4-18-44(52)56/h1-8,13-27,32-34H,9-12,28-31H2.

What are the key properties of 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] has a molecular weight of 807.11 g/mol, XLogP of 12.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is sourced from PubChem (CID 59182582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).