6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole

C51H33FN4OSi — CID 140951794

About 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole

6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole (PubChem CID 140951794) has the molecular formula C51H33FN4OSi and a molecular weight of 764.94 g/mol. Its IUPAC name is 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole.

Molecular Properties

• Compound Name: 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole
• PubChem CID: 140951794
• Molecular Formula: C51H33FN4OSi
• Molecular Weight: 764.94 g/mol
• Exact Mass: 764.24
• IUPAC Name: 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole
• SMILES: FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1cc2c(c3c1Oc1ccccc1[Si]3(c1ccccc1)c1ccccc1)c1ccccc1n2-c1ccccn1
• InChI: InChI=1S/C51H33FN4OSi/c52-48(33-26-27-36-37-19-7-9-21-41(37)55-30-29-54-51(55)39(36)31-33)40-32-43-47(38-20-8-10-22-42(38)56(43)46-25-13-14-28-53-46)50-49(40)57-44-23-11-12-24-45(44)58(50,34-15-3-1-4-16-34)35-17-5-2-6-18-35/h1-32,48H
• InChIKey: OHJFYNQQAVQMFF-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 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole?

The IUPAC name of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole (CID 140951794) is 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole.

What is the SMILES notation for 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole?

The canonical SMILES for 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1cc2c(c3c1Oc1ccccc1[Si]3(c1ccccc1)c1ccccc1)c1ccccc1n2-c1ccccn1.

What is the InChIKey of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole?

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

What are the key properties of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole?

6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]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 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole is sourced from PubChem (CID 140951794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).