4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)

C66H53F4Ir2N4O4-3 — CID 159347791

About 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)

4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine) (PubChem CID 159347791) has the molecular formula C66H53F4Ir2N4O4-3 and a molecular weight of 1426.60 g/mol. Its IUPAC name is 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine).

Molecular Properties

• Compound Name: 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)
• PubChem CID: 159347791
• Molecular Formula: C66H53F4Ir2N4O4-3
• Molecular Weight: 1426.60 g/mol
• Exact Mass: 1427.33
• IUPAC Name: 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)
• SMILES: CO.CO.Cc1cc2c(-c3[c-]ccc(-c4ccc(F)cc4F)c3)nccc2o1.Cc1cc2c(-c3cccc(-c4ccc(F)cc4F)c3)nccc2o1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir]
• InChI: InChI=1S/C20H13F2NO.C20H12F2NO.2C12H10N.2CH4O.2Ir/c2*1-12-9-17-19(24-12)7-8-23-20(17)14-4-2-3-13(10-14)16-6-5-15(21)11-18(16)22;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2;;/h2-11H,1H3;2-3,5-11H,1H3;2*2-7,9H,1H3;2*2H,1H3;;/q;3*-1
• InChIKey: LMDRFCRQLNRNNY-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 118.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1426.60
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)?

The IUPAC name of 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine) (CID 159347791) is 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine).

What is the SMILES notation for 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)?

The canonical SMILES for 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine) is CO.CO.Cc1cc2c(-c3[c-]ccc(-c4ccc(F)cc4F)c3)nccc2o1.Cc1cc2c(-c3cccc(-c4ccc(F)cc4F)c3)nccc2o1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].

What is the InChIKey of 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)?

The InChIKey is LMDRFCRQLNRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO.C20H12F2NO.2C12H10N.2CH4O.2Ir/c2*1-12-9-17-19(24-12)7-8-23-20(17)14-4-2-3-13(10-14)16-6-5-15(21)11-18(16)22;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;2*1-2;;/h2-11H,1H3;2-3,5-11H,1H3;2*2-7,9H,1H3;2*2H,1H3;;/q;3*-1;;;;.

What are the key properties of 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine)?

4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine) has a molecular weight of 1426.60 g/mol, XLogP of 16.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2,4-difluorophenyl)benzene-6-id-1-yl]-2-methylfuro[3,2-c]pyridine;4-[3-(2,4-difluorophenyl)phenyl]-2-methylfuro[3,2-c]pyridine;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine) is sourced from PubChem (CID 159347791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).