5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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

C78H68F2N2Si2 — CID 159903765

About 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 159903765) has the molecular formula C78H68F2N2Si2 and a molecular weight of 1127.58 g/mol. Its IUPAC name is 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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: 159903765
• Molecular Formula: C78H68F2N2Si2
• Molecular Weight: 1127.58 g/mol
• Exact Mass: 1126.49
• IUPAC Name: 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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: Cc1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4F)ccc13)C(C)(C)c1cc(N(c3ccc([Si](C)(C)C)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)ccc1-2
• InChI: InChI=1S/C78H68F2N2Si2/c1-51-64-43-37-60(81(58-33-39-62(40-34-58)83(4,5)6)72-47-56(52-23-14-10-15-24-52)45-67(76(72)79)54-27-18-12-19-28-54)49-69(64)65-31-22-32-70-75(65)74(51)66-44-38-61(50-71(66)78(70,2)3)82(59-35-41-63(42-36-59)84(7,8)9)73-48-57(53-25-16-11-17-26-53)46-68(77(73)80)55-29-20-13-21-30-55/h10-50H,1-9H3
• InChIKey: CYQPMZKSZDFHTR-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.58
LogP ≤ 5	21.58
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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 159903765) is 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 Cc1c2c3c(cccc3c3cc(N(c4ccc([Si](C)(C)C)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4F)ccc13)C(C)(C)c1cc(N(c3ccc([Si](C)(C)C)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)ccc1-2.

What is the InChIKey of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 CYQPMZKSZDFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H68F2N2Si2/c1-51-64-43-37-60(81(58-33-39-62(40-34-58)83(4,5)6)72-47-56(52-23-14-10-15-24-52)45-67(76(72)79)54-27-18-12-19-28-54)49-69(64)65-31-22-32-70-75(65)74(51)66-44-38-61(50-71(66)78(70,2)3)82(59-35-41-63(42-36-59)84(7,8)9)73-48-57(53-25-16-11-17-26-53)46-68(77(73)80)55-29-20-13-21-30-55/h10-50H,1-9H3.

What are the key properties of 5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 1127.58 g/mol, XLogP of 21.58, 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)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[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 159903765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).