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

C51H33FN4OSi — CID 140953826

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

10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole (PubChem CID 140953826) has the molecular formula C51H33FN4OSi and a molecular weight of 764.94 g/mol. Its IUPAC name is 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole.

Molecular Properties

• Compound Name: 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole
• PubChem CID: 140953826
• Molecular Formula: C51H33FN4OSi
• Molecular Weight: 764.94 g/mol
• Exact Mass: 764.24
• IUPAC Name: 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole
• SMILES: FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c(c3n(-c3ccccn3)c2c1)Oc1ccccc1[Si]4(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C51H33FN4OSi/c52-48(33-22-24-37-38-17-7-8-18-42(38)55-30-29-54-51(55)41(37)31-33)34-23-25-39-40-26-27-46-50(49(40)56(43(39)32-34)47-21-11-12-28-53-47)57-44-19-9-10-20-45(44)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,48H
• InChIKey: AYSSNORZPNYBFN-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.94
LogP ≤ 5	9.67
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]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole?

The IUPAC name of 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole (CID 140953826) is 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole.

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

The canonical SMILES for 10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3ccc4c(c3n(-c3ccccn3)c2c1)Oc1ccccc1[Si]4(c1ccccc1)c1ccccc1.

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

The InChIKey is AYSSNORZPNYBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33FN4OSi/c52-48(33-22-24-37-38-17-7-8-18-42(38)55-30-29-54-51(55)41(37)31-33)34-23-25-39-40-26-27-46-50(49(40)56(43(39)32-34)47-21-11-12-28-53-47)57-44-19-9-10-20-45(44)58(46,35-13-3-1-4-14-35)36-15-5-2-6-16-36/h1-32,48H.

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

10-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole has a molecular weight of 764.94 g/mol, XLogP of 9.67, 5 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]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole is sourced from PubChem (CID 140953826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).