5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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]

C58H54N2Si4 — CID 59181890

About 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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 59181890) has the molecular formula C58H54N2Si4 and a molecular weight of 891.43 g/mol. Its IUPAC name is 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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: 59181890
• Molecular Formula: C58H54N2Si4
• Molecular Weight: 891.43 g/mol
• Exact Mass: 890.34
• IUPAC Name: 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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: C[Si]1(C)c2cc(N3c4ccccc4[Si]4(CCCC4)c4ccccc43)ccc2-c2c1c1c(c3ccccc23)-c2ccc(N3c4ccccc4[Si]4(CCCC4)c4ccccc43)cc2[Si]1(C)C
• InChI: InChI=1S/C58H54N2Si4/c1-61(2)53-37-39(59-45-21-7-11-25-49(45)63(33-15-16-34-63)50-26-12-8-22-46(50)59)29-31-43(53)55-41-19-5-6-20-42(41)56-44-32-30-40(38-54(44)62(3,4)58(56)57(55)61)60-47-23-9-13-27-51(47)64(35-17-18-36-64)52-28-14-10-24-48(52)60/h5-14,19-32,37-38H,15-18,33-36H2,1-4H3
• InChIKey: MUVORSPWCQXGMB-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.43
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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 59181890) is 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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 C[Si]1(C)c2cc(N3c4ccccc4[Si]4(CCCC4)c4ccccc43)ccc2-c2c1c1c(c3ccccc23)-c2ccc(N3c4ccccc4[Si]4(CCCC4)c4ccccc43)cc2[Si]1(C)C.

What is the InChIKey of 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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 MUVORSPWCQXGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2Si4/c1-61(2)53-37-39(59-45-21-7-11-25-49(45)63(33-15-16-34-63)50-26-12-8-22-46(50)59)29-31-43(53)55-41-19-5-6-20-42(41)56-44-32-30-40(38-54(44)62(3,4)58(56)57(55)61)60-47-23-9-13-27-51(47)64(35-17-18-36-64)52-28-14-10-24-48(52)60/h5-14,19-32,37-38H,15-18,33-36H2,1-4H3.

What are the key properties of 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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 891.43 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[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 59181890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).