16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C67H57FN2OSi — CID 140749920

About 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 140749920) has the molecular formula C67H57FN2OSi and a molecular weight of 953.29 g/mol. Its IUPAC name is 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

• Compound Name: 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• PubChem CID: 140749920
• Molecular Formula: C67H57FN2OSi
• Molecular Weight: 953.29 g/mol
• Exact Mass: 952.42
• IUPAC Name: 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)ccc1-3
• InChI: InChI=1S/C67H57FN2OSi/c1-66(2)57-42-50(69(48-28-18-11-19-29-48)49-32-36-52(37-33-49)72(5,6)7)34-38-54(57)64-61(66)62-65(71-64)55-39-35-51(43-58(55)67(62,3)4)70(60-31-21-20-30-53(60)45-24-14-9-15-25-45)63-56(46-26-16-10-17-27-46)40-47(41-59(63)68)44-22-12-8-13-23-44/h8-43H,1-7H3
• InChIKey: BCIAYLMFUAVJBK-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.29
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The IUPAC name of 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 140749920) is 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

What is the SMILES notation for 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The canonical SMILES for 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2-c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)ccc1-3.

What is the InChIKey of 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The InChIKey is BCIAYLMFUAVJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57FN2OSi/c1-66(2)57-42-50(69(48-28-18-11-19-29-48)49-32-36-52(37-33-49)72(5,6)7)34-38-54(57)64-61(66)62-65(71-64)55-39-35-51(43-58(55)67(62,3)4)70(60-31-21-20-30-53(60)45-24-14-9-15-25-45)63-56(46-26-16-10-17-27-46)40-47(41-59(63)68)44-22-12-8-13-23-44/h8-43H,1-7H3.

What are the key properties of 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 953.29 g/mol, XLogP of 18.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-(2-fluoro-4,6-diphenylphenyl)-3,3,19,19-tetramethyl-6-N-phenyl-16-N-(2-phenylphenyl)-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 140749920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).