10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole

C57H38FN5Si — CID 140955324

About 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole

10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole (PubChem CID 140955324) has the molecular formula C57H38FN5Si and a molecular weight of 840.05 g/mol. Its IUPAC name is 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole.

Molecular Properties

• Compound Name: 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
• PubChem CID: 140955324
• Molecular Formula: C57H38FN5Si
• Molecular Weight: 840.05 g/mol
• Exact Mass: 839.29
• IUPAC Name: 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole
• SMILES: FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c(c3n(-c3ccccn3)c2c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N4c1ccccc1
• InChI: InChI=1S/C57H38FN5Si/c58-54(38-27-29-43-44-22-10-11-23-48(44)61-35-34-60-57(61)47(43)36-38)39-28-30-45-46-31-32-50-56(55(46)63(51(45)37-39)53-26-14-15-33-59-53)64(41-18-6-2-7-19-41,42-20-8-3-9-21-42)52-25-13-12-24-49(52)62(50)40-16-4-1-5-17-40/h1-37,54H
• InChIKey: YUXVMANWERGPOC-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 38.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.05
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

The IUPAC name of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole (CID 140955324) is 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole.

What is the SMILES notation for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

The canonical SMILES for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c(c3n(-c3ccccn3)c2c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1N4c1ccccc1.

What is the InChIKey of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

The InChIKey is YUXVMANWERGPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38FN5Si/c58-54(38-27-29-43-44-22-10-11-23-48(44)61-35-34-60-57(61)47(43)36-38)39-28-30-45-46-31-32-50-56(55(46)63(51(45)37-39)53-26-14-15-33-59-53)64(41-18-6-2-7-19-41,42-20-8-3-9-21-42)52-25-13-12-24-49(52)62(50)40-16-4-1-5-17-40/h1-37,54H.

What are the key properties of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole?

10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole has a molecular weight of 840.05 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,13,13-triphenyl-12-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazole is sourced from PubChem (CID 140955324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).