2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)

C27H17N2O3OsP+ — CID 140807980

About 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)

2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+) (PubChem CID 140807980) has the molecular formula C27H17N2O3OsP+ and a molecular weight of 638.65 g/mol. Its IUPAC name is 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+).

Molecular Properties

• Compound Name: 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)
• PubChem CID: 140807980
• Molecular Formula: C27H17N2O3OsP+
• Molecular Weight: 638.65 g/mol
• Exact Mass: 640.06
• IUPAC Name: 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)
• SMILES: [Os+].[c-]1cccc2c1c1nc(O[PH+]3Oc4ccccc4-c4ccccc4O3)cn1c1ccccc21
• InChI: InChI=1S/C27H17N2O3P.Os/c1-2-13-22-18(9-1)19-10-3-6-14-23(19)29-17-26(28-27(22)29)32-33-30-24-15-7-4-11-20(24)21-12-5-8-16-25(21)31-33;/h1-12,14-17,33H;/q;+1
• InChIKey: CISFEHNSQYBNRK-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 44.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.65
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)?

The IUPAC name of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+) (CID 140807980) is 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+).

What is the SMILES notation for 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)?

The canonical SMILES for 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+) is [Os+].[c-]1cccc2c1c1nc(O[PH+]3Oc4ccccc4-c4ccccc4O3)cn1c1ccccc21.

What is the InChIKey of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)?

The InChIKey is CISFEHNSQYBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N2O3P.Os/c1-2-13-22-18(9-1)19-10-3-6-14-23(19)29-17-26(28-27(22)29)32-33-30-24-15-7-4-11-20(24)21-12-5-8-16-25(21)31-33;/h1-12,14-17,33H;/q;+1.

What are the key properties of 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)?

2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+) has a molecular weight of 638.65 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+) is sourced from PubChem (CID 140807980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).