5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C76H66F2N2Si3 — CID 140757234

About 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 140757234) has the molecular formula C76H66F2N2Si3 and a molecular weight of 1129.63 g/mol. Its IUPAC name is 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 140757234
• Molecular Formula: C76H66F2N2Si3
• Molecular Weight: 1129.63 g/mol
• Exact Mass: 1128.45
• IUPAC Name: 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc(-c5ccccc5)cc(-c5ccccc5)c3F)cc24)c2cc(-c3ccccc3)cc(-c3ccccc3)c2F)cc1
• InChI: InChI=1S/C76H66F2N2Si3/c1-81(2,3)62-39-34-58(35-40-62)79(70-47-56(51-22-13-9-14-23-51)45-67(75(70)77)53-26-17-11-18-27-53)60-33-32-55-44-69-64-43-38-61(50-73(64)83(7,8)72-31-21-30-65(74(69)72)66(55)49-60)80(59-36-41-63(42-37-59)82(4,5)6)71-48-57(52-24-15-10-16-25-52)46-68(76(71)78)54-28-19-12-20-29-54/h9-50H,1-8H3
• InChIKey: QEFAOFNCODSFSI-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.63
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 140757234) is 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is C[Si](C)(C)c1ccc(N(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(N(c3ccc([Si](C)(C)C)cc3)c3cc(-c5ccccc5)cc(-c5ccccc5)c3F)cc24)c2cc(-c3ccccc3)cc(-c3ccccc3)c2F)cc1.

What is the InChIKey of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is QEFAOFNCODSFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H66F2N2Si3/c1-81(2,3)62-39-34-58(35-40-62)79(70-47-56(51-22-13-9-14-23-51)45-67(75(70)77)53-26-17-11-18-27-53)60-33-32-55-44-69-64-43-38-61(50-73(64)83(7,8)72-31-21-30-65(74(69)72)66(55)49-60)80(59-36-41-63(42-37-59)82(4,5)6)71-48-57(52-24-15-10-16-25-52)46-68(76(71)78)54-28-19-12-20-29-54/h9-50H,1-8H3.

What are the key properties of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 1129.63 g/mol, XLogP of 19.77, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 140757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).