11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C52H38N2Si — CID 140785838

About 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 140785838) has the molecular formula C52H38N2Si and a molecular weight of 718.98 g/mol. Its IUPAC name is 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 140785838
• Molecular Formula: C52H38N2Si
• Molecular Weight: 718.98 g/mol
• Exact Mass: 718.28
• IUPAC Name: 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: C[Si]1(C)c2ccc3ccccc3c2-c2nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c21
• InChI: InChI=1S/C52H38N2Si/c1-55(2)47-30-29-37-19-9-10-28-46(37)48(47)50-51(55)49(44-26-13-24-42(33-44)40-22-11-20-38(31-40)35-15-5-3-6-16-35)53-52(54-50)45-27-14-25-43(34-45)41-23-12-21-39(32-41)36-17-7-4-8-18-36/h3-34H,1-2H3
• InChIKey: QLAJGCLHJVLODJ-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.98
LogP ≤ 5	12.43
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 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 140785838) is 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is C[Si]1(C)c2ccc3ccccc3c2-c2nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c21.

What is the InChIKey of 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is QLAJGCLHJVLODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2Si/c1-55(2)47-30-29-37-19-9-10-28-46(37)48(47)50-51(55)49(44-26-13-24-42(33-44)40-22-11-20-38(31-40)35-15-5-3-6-16-35)53-52(54-50)45-27-14-25-43(34-45)41-23-12-21-39(32-41)36-17-7-4-8-18-36/h3-34H,1-2H3.

What are the key properties of 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 718.98 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-13,15-bis[3-(3-phenylphenyl)phenyl]-14,16-diaza-11-silatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 140785838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).