5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

C52H38N4Si — CID 162477398

About 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (PubChem CID 162477398) has the molecular formula C52H38N4Si and a molecular weight of 746.99 g/mol. Its IUPAC name is 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

Molecular Properties

• Compound Name: 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
• PubChem CID: 162477398
• Molecular Formula: C52H38N4Si
• Molecular Weight: 746.99 g/mol
• Exact Mass: 746.29
• IUPAC Name: 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
• SMILES: C[Si]1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32
• InChI: InChI=1S/C52H38N4Si/c1-57(2)49-32-36(37-29-38(45-21-11-13-27-53-45)31-39(30-37)46-22-12-14-28-54-46)24-25-47(49)56-48-26-23-35-15-9-10-20-43(35)51(48)44-33-42(34-50(57)52(44)56)55(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-34H,1-2H3
• InChIKey: AUAGSJAQEYGQQX-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.99
LogP ≤ 5	12.33
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-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The IUPAC name of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (CID 162477398) is 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

What is the SMILES notation for 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The canonical SMILES for 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is C[Si]1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.

What is the InChIKey of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The InChIKey is AUAGSJAQEYGQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4Si/c1-57(2)49-32-36(37-29-38(45-21-11-13-27-53-45)31-39(30-37)46-22-12-14-28-54-46)24-25-47(49)56-48-26-23-35-15-9-10-20-43(35)51(48)44-33-42(34-50(57)52(44)56)55(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-34H,1-2H3.

What are the key properties of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine has a molecular weight of 746.99 g/mol, XLogP of 12.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-aza-8-silahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is sourced from PubChem (CID 162477398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).