9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene

C53H37FN4Si — CID 140953018

About 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene

9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene (PubChem CID 140953018) has the molecular formula C53H37FN4Si and a molecular weight of 776.99 g/mol. Its IUPAC name is 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
• PubChem CID: 140953018
• Molecular Formula: C53H37FN4Si
• Molecular Weight: 776.99 g/mol
• Exact Mass: 776.28
• IUPAC Name: 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
• SMILES: FC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3ccccc3c3c4c(cnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)c1
• InChI: InChI=1S/C53H37FN4Si/c54-51(38-19-16-18-37(34-38)45-29-14-15-33-55-45)39-20-17-23-41(35-39)58-46-30-11-10-28-44(46)50-52-49(36-56-53(50)58)59(42-24-6-2-7-25-42,43-26-8-3-9-27-43)48-32-13-12-31-47(48)57(52)40-21-4-1-5-22-40/h1-36,51H
• InChIKey: SMWAOXQGOJZRRW-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 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?

The IUPAC name of 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene (CID 140953018) is 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene.

What is the SMILES notation for 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?

The canonical SMILES for 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene is FC(c1cccc(-c2ccccn2)c1)c1cccc(-n2c3ccccc3c3c4c(cnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)c1.

What is the InChIKey of 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?

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

What are the key properties of 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene?

9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-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 9-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14,21-triphenyl-9,11,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene is sourced from PubChem (CID 140953018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).