2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol

C94H89Ir2N6O4+ — CID 161105608

About 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol

2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol (PubChem CID 161105608) has the molecular formula C94H89Ir2N6O4+ and a molecular weight of 1751.22 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol
• PubChem CID: 161105608
• Molecular Formula: C94H89Ir2N6O4+
• Molecular Weight: 1751.22 g/mol
• Exact Mass: 1751.62
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol
• SMILES: CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2cccc3c2oc2ccccc23)c1.CCc1ccnc(-c2[c-]cccc2)c1.CCc1ccnc(-c2[c-]cccc2)c1.CCc1ccnc(-c2[c-]cccc2)c1.CCc1ccnc(-c2[c-]cccc2)c1.CO.CO.[Ir+3].[Ir+3]
• InChI: InChI=1S/C20H17NO.C20H16NO.4C13H12N.2CH4O.2Ir/c2*1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;4*1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;2*1-2;;/h3-13H,1-2H3;3-7,9-13H,1-2H3;4*3-6,8-10H,2H2,1H3;2*2H,1H3;;/q;5*-1;;;2*+3
• InChIKey: NYNMKNFLTYQTDV-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 144.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1751.22
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol (CID 161105608) is 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol is CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2cccc3c2oc2ccccc23)c1.CCc1ccnc(-c2[c-]cccc2)c1.CCc1ccnc(-c2[c-]cccc2)c1.CCc1ccnc(-c2[c-]cccc2)c1.CCc1ccnc(-c2[c-]cccc2)c1.CO.CO.[Ir+3].[Ir+3].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol?

The InChIKey is NYNMKNFLTYQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO.C20H16NO.4C13H12N.2CH4O.2Ir/c2*1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;4*1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;2*1-2;;/h3-13H,1-2H3;3-7,9-13H,1-2H3;4*3-6,8-10H,2H2,1H3;2*2H,1H3;;/q;5*-1;;;2*+3.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol?

2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol has a molecular weight of 1751.22 g/mol, XLogP of 23.00, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;tetrakis(4-ethyl-2-phenylpyridine);bis(iridium(3+));methanol is sourced from PubChem (CID 161105608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).