9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole

C39H23FN4O — CID 140954604

About 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole

9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole (PubChem CID 140954604) has the molecular formula C39H23FN4O and a molecular weight of 582.64 g/mol. Its IUPAC name is 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 140954604
• Molecular Formula: C39H23FN4O
• Molecular Weight: 582.64 g/mol
• Exact Mass: 582.19
• IUPAC Name: 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
• SMILES: FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3cc4oc5ccccc5c4cc3n(-c3ccccn3)c2c1
• InChI: InChI=1S/C39H23FN4O/c40-38(23-12-14-25-26-7-1-3-9-32(26)43-18-17-42-39(43)31(25)19-23)24-13-15-27-29-22-36-30(28-8-2-4-10-35(28)45-36)21-34(29)44(33(27)20-24)37-11-5-6-16-41-37/h1-22,38H
• InChIKey: KXPLREUYYYOMDW-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 48.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.64
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole (CID 140954604) is 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3cc4oc5ccccc5c4cc3n(-c3ccccn3)c2c1.

What is the InChIKey of 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?

The InChIKey is KXPLREUYYYOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23FN4O/c40-38(23-12-14-25-26-7-1-3-9-32(26)43-18-17-42-39(43)31(25)19-23)24-13-15-27-29-22-36-30(28-8-2-4-10-35(28)45-36)21-34(29)44(33(27)20-24)37-11-5-6-16-41-37/h1-22,38H.

What are the key properties of 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?

9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 582.64 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 140954604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).