14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine

C57H49FN2Si2 — CID 140756958

About 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine

14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine (PubChem CID 140756958) has the molecular formula C57H49FN2Si2 and a molecular weight of 837.20 g/mol. Its IUPAC name is 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine.

Molecular Properties

• Compound Name: 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
• PubChem CID: 140756958
• Molecular Formula: C57H49FN2Si2
• Molecular Weight: 837.20 g/mol
• Exact Mass: 836.34
• IUPAC Name: 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc-3c24)cc1
• InChI: InChI=1S/C57H49FN2Si2/c1-61(2,3)47-32-29-45(30-33-47)59(43-23-14-8-15-24-43)46-31-34-48-49-35-36-53(50-27-18-28-54(56(49)50)62(4,5)55(48)39-46)60(44-25-16-9-17-26-44)57-51(41-21-12-7-13-22-41)37-42(38-52(57)58)40-19-10-6-11-20-40/h6-39H,1-5H3
• InChIKey: MIUKZIGWGYYKPL-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.20
LogP ≤ 5	14.60
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 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

The IUPAC name of 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine (CID 140756958) is 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine.

What is the SMILES notation for 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

The canonical SMILES for 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c(N(c5ccccc5)c5c(F)cc(-c6ccccc6)cc5-c5ccccc5)ccc-3c24)cc1.

What is the InChIKey of 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

The InChIKey is MIUKZIGWGYYKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49FN2Si2/c1-61(2,3)47-32-29-45(30-33-47)59(43-23-14-8-15-24-43)46-31-34-48-49-35-36-53(50-27-18-28-54(56(49)50)62(4,5)55(48)39-46)60(44-25-16-9-17-26-44)57-51(41-21-12-7-13-22-41)37-42(38-52(57)58)40-19-10-6-11-20-40/h6-39H,1-5H3.

What are the key properties of 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine?

14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine has a molecular weight of 837.20 g/mol, XLogP of 14.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N-(2-fluoro-4,6-diphenylphenyl)-8,8-dimethyl-5-N,14-N-diphenyl-5-N-(4-trimethylsilylphenyl)-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine is sourced from PubChem (CID 140756958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).