14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

C53H37FN4Si — CID 140951924

About 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene

14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (PubChem CID 140951924) has the molecular formula C53H37FN4Si and a molecular weight of 776.99 g/mol. Its IUPAC name is 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
• PubChem CID: 140951924
• Molecular Formula: C53H37FN4Si
• Molecular Weight: 776.99 g/mol
• Exact Mass: 776.28
• IUPAC Name: 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
• SMILES: FC(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ccc4c5ccccc5n(-c5ccccc5)c4c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1
• InChI: InChI=1S/C53H37FN4Si/c54-50(38-18-14-17-37(35-38)46-28-12-13-33-55-46)39-19-15-22-41(36-39)58-48-32-31-45-44-27-10-11-29-47(44)57(40-20-4-1-5-21-40)51(45)52(48)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)49-30-16-34-56-53(49)58/h1-36,50H
• InChIKey: HGDLFXKIQCCHHO-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.99
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

The IUPAC name of 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene (CID 140951924) is 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene.

What is the SMILES notation for 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

The canonical SMILES for 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is FC(c1cccc(-c2ccccn2)c1)c1cccc(N2c3ccc4c5ccccc5n(-c5ccccc5)c4c3[Si](c3ccccc3)(c3ccccc3)c3cccnc32)c1.

What is the InChIKey of 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

The InChIKey is HGDLFXKIQCCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37FN4Si/c54-50(38-18-14-17-37(35-38)46-28-12-13-33-55-46)39-19-15-22-41(36-39)58-48-32-31-45-44-27-10-11-29-47(44)57(40-20-4-1-5-21-40)51(45)52(48)59(42-23-6-2-7-24-42,43-25-8-3-9-26-43)49-30-16-34-56-53(49)58/h1-36,50H.

What are the key properties of 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene?

14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene has a molecular weight of 776.99 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-3,21,21-triphenyl-3,14,16-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140951924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).