3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole

C45H28FN5 — CID 140951548

About 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole

3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole (PubChem CID 140951548) has the molecular formula C45H28FN5 and a molecular weight of 657.75 g/mol. Its IUPAC name is 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole
• PubChem CID: 140951548
• Molecular Formula: C45H28FN5
• Molecular Weight: 657.75 g/mol
• Exact Mass: 657.23
• IUPAC Name: 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole
• SMILES: FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccn3)c2c1
• InChI: InChI=1S/C45H28FN5/c46-43(28-17-19-31-32-12-4-6-14-37(32)49-25-24-48-45(49)36(31)26-28)29-18-20-35-40(27-29)51(41-16-8-9-23-47-41)39-22-21-34-33-13-5-7-15-38(33)50(44(34)42(35)39)30-10-2-1-3-11-30/h1-27,43H
• InChIKey: UMPVJIHNBDPAAB-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.75
LogP ≤ 5	11.29
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 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole?

The IUPAC name of 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole (CID 140951548) is 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole.

What is the SMILES notation for 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole?

The canonical SMILES for 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole is FC(c1ccc2c3ccccc3n3ccnc3c2c1)c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccn3)c2c1.

What is the InChIKey of 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole?

The InChIKey is UMPVJIHNBDPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28FN5/c46-43(28-17-19-31-32-12-4-6-14-37(32)49-25-24-48-45(49)36(31)26-28)29-18-20-35-40(27-29)51(41-16-8-9-23-47-41)39-22-21-34-33-13-5-7-15-38(33)50(44(34)42(35)39)30-10-2-1-3-11-30/h1-27,43H.

What are the key properties of 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole?

3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole has a molecular weight of 657.75 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-phenyl-5-pyridin-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 140951548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).