5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

C56H48N4Si2 — CID 59182039

About 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (PubChem CID 59182039) has the molecular formula C56H48N4Si2 and a molecular weight of 833.20 g/mol. Its IUPAC name is 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

Molecular Properties

• Compound Name: 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
• PubChem CID: 59182039
• Molecular Formula: C56H48N4Si2
• Molecular Weight: 833.20 g/mol
• Exact Mass: 832.34
• IUPAC Name: 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
• SMILES: Cn1c2cc(N3c4ccccc4[Si]4(CCCC4)c4ccccc43)ccc2c2c3ccccc3c3c4ccc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)cc4n(C)c3c21
• InChI: InChI=1S/C56H48N4Si2/c1-57-47-35-37(59-43-19-5-9-23-49(43)61(31-13-14-32-61)50-24-10-6-20-44(50)59)27-29-41(47)53-39-17-3-4-18-40(39)54-42-30-28-38(36-48(42)58(2)56(54)55(53)57)60-45-21-7-11-25-51(45)62(33-15-16-34-62)52-26-12-8-22-46(52)60/h3-12,17-30,35-36H,13-16,31-34H2,1-2H3
• InChIKey: RYDQRRKWQNJEKK-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.20
LogP ≤ 5	12.41
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-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The IUPAC name of 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (CID 59182039) is 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

What is the SMILES notation for 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The canonical SMILES for 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is Cn1c2cc(N3c4ccccc4[Si]4(CCCC4)c4ccccc43)ccc2c2c3ccccc3c3c4ccc(N5c6ccccc6[Si]6(CCCC6)c6ccccc65)cc4n(C)c3c21.

What is the InChIKey of 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The InChIKey is RYDQRRKWQNJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N4Si2/c1-57-47-35-37(59-43-19-5-9-23-49(43)61(31-13-14-32-61)50-24-10-6-20-44(50)59)27-29-41(47)53-39-17-3-4-18-40(39)54-42-30-28-38(36-48(42)58(2)56(54)55(53)57)60-45-21-7-11-25-51(45)62(33-15-16-34-62)52-26-12-8-22-46(52)60/h3-12,17-30,35-36H,13-16,31-34H2,1-2H3.

What are the key properties of 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] has a molecular weight of 833.20 g/mol, XLogP of 12.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is sourced from PubChem (CID 59182039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).